SARS-CoV - 抗感染 - 按“信号通路”分类 - 小分子和化合物库

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磷酸氯喹

规格或纯度 :

≥99%

CAS号 : 50-63-5 Compound CID : 64927

分子式: C₁₈H₂₆ClN₃·2H₃PO₄ 分子量: 515.86

IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid

SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

InChIKey: QKICWELGRMTQCR-UHFFFAOYSA-N

InChI: InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)

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伊马替尼

规格或纯度 :

Moligand™

≥99%

CAS号 : 152459-95-5 Compound CID : 5291

分子式: C₂₉H₃₁N₇O 分子量: 493.6

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

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IOWH032,CFTR抑制剂

规格或纯度 :

≥99%

CAS号 : 1191252-49-9 Compound CID : 135565181

分子式: C₂₂H₁₅Br₂N₃O₄ 分子量: 545.18

IUPAC Name: 3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br

InChIKey: DSFNLJXHXBIKDS-UHFFFAOYSA-N

InChI: InChI=1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)

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酮替芬延胡索酸

规格或纯度 :

≥99%

CAS号 : 34580-14-8 Compound CID : 5282408

分子式: C₁₉H₁₉NOS·C₄H₄O₄ 分子量: 425.5

IUPAC Name: (E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

SMILES: CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O

InChIKey: YNQQEYBLVYAWNX-WLHGVMLRSA-N

InChI: InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

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Lopinavir

规格或纯度 :

Moligand™

≥99%

CAS号 : 192725-17-0 Compound CID : 92727

分子式: C₃₇H₄₈N₄O₅ 分子量: 628.8

IUPAC Name: (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O

InChIKey: KJHKTHWMRKYKJE-SUGCFTRWSA-N

InChI: InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1

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盐酸阿比朵尔

规格或纯度 :

≥99%

CAS号 : 131707-23-8 Compound CID : 9958103

分子式: C₂₂H₂₅BrN₂O₃S.HCl 分子量: 513.88

IUPAC Name: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride

SMILES: CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.Cl

InChIKey: OMZHXQXQJGCSKN-UHFFFAOYSA-N

InChI: InChI=1S/C22H25BrN2O3S.ClH/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;/h6-11,26H,5,12-13H2,1-4H3;1H

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法匹拉韦

规格或纯度 :

Moligand™

≥99%

CAS号 : 259793-96-9 Compound CID : 492405

分子式: C₅H₄FN₃O₂ 分子量: 157.1

IUPAC Name: 5-fluoro-2-oxo-1H-pyrazine-3-carboxamide

SMILES: C1=C(N=C(C(=O)N1)C(=O)N)F

InChIKey: ZCGNOVWYSGBHAU-UHFFFAOYSA-N

InChI: InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)

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美托拉宗

规格或纯度 :

≥99%

CAS号 : 150323-78-7 Compound CID : 6420043

分子式: C₁₃H₁₅N₃.₂C₄H₄O₄ 分子量: 445.43

IUPAC Name: (Z)-but-2-enedioic acid;2-piperazin-1-ylquinoline

SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

InChIKey: VAOSOCRJSSWBEQ-SPIKMXEPSA-N

InChI: InChI=1S/C13H15N3.2C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;2*5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

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PB 28 dihydrochloride

规格或纯度 :

Moligand™

≥99%

CAS号 : 172906-90-0 Compound CID : 10474335

分子式: C24H40Cl2N2O 分子量: 443.49

IUPAC Name: 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

SMILES: COC1=CC=CC2=C1CCCC2CCCN3CCN(CC3)C4CCCCC4

InChIKey: PHRCDWVPTULQMT-UHFFFAOYSA-N

InChI: InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3

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PF-07321332

规格或纯度 :

Moligand™

≥99%

CAS号 : 2628280-40-8 Compound CID : 155903259

分子式: C₂₃H₃₂F₃N₅O₄ 分子量: 499.53

IUPAC Name: (1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C#N)C

InChIKey: LIENCHBZNNMNKG-OJFNHCPVSA-N

InChI: InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1

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1-月桂酰-rac-甘油

规格或纯度 :

≥99%

CAS号 : 142-18-7

分子式: C₁₅H₃₀O₄ 分子量: 274.4

IUPAC Name: 2,3-dihydroxypropyl dodecanoate

SMILES: CCCCCCCCCCCC(=O)OCC(CO)O

InChIKey: ARIWANIATODDMH-UHFFFAOYSA-N

InChI: InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3

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