页面 2 | 按“信号通路”分类 - 小分子和化合物库

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氢溴酸丙胺
CAS号 : 300-08-3 Compound CID : 9301

分子式: C₈H₁₃NO₂ · HBr 分子量: 236.11

IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide

SMILES: CN1CCC=C(C1)C(=O)OC.Br

InChIKey: AXOJRQLKMVSHHZ-UHFFFAOYSA-N

InChI: InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
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4-雄烯-11β-醇-3,17-二酮
- ≥98%
CAS号 : 382-44-5 Compound CID : 94141

分子式: C₁₉H₂₆O₃ 分子量: 302.41

IUPAC Name: (8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4=O)C)O

InChIKey: WSCUHXPGYUMQEX-KCZNZURUSA-N

InChI: InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
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AS-605240,PI3Kγ抑制剂
- ≥98%
CAS号 : 648450-29-7 Compound CID : 5289247

分子式: C₁₂H₇N₃O₂S 分子量: 257.27

IUPAC Name: (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

SMILES: C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3

InChIKey: SQWZFLMPDUSYGV-POHAHGRESA-N

InChI: InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
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AMG-900
- ≥98%
CAS号 : 945595-80-2 Compound CID : 24856041

分子式: C₂₈H₂₁N₇OS 分子量: 503.58

IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine

SMILES: CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

InChIKey: IVUGFMLRJOCGAS-UHFFFAOYSA-N

InChI: InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)
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N-乙酰-D-氨基葡萄糖
- ≥98%
CAS号 : 7512-17-6 Compound CID : 1738118

分子式: C₈H₁₅NO₆ 分子量: 221.21

SMILES: CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
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蒿甲醚
- ≥98%
CAS号 : 71963-77-4 Compound CID : 68911

分子式: C₁₆H₂₆O₅ 分子量: 298.38

IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

SMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C

InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N

InChI: InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
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D-(-)-阿拉伯糖
- ≥98%
CAS号 : 10323-20-3 Compound CID : 66308

分子式: C₅H₁₀O₅ 分子量: 150.13

IUPAC Name: (2S,3R,4R)-2,3,4,5-tetrahydroxypentanal

SMILES: C(C(C(C(C=O)O)O)O)O

InChIKey: PYMYPHUHKUWMLA-WDCZJNDASA-N

InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1
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阿洛西林钠盐
- ≥99%
CAS号 : 37091-65-9 Compound CID : 23685176

分子式: C₂₀H₂₂N₅O₆SNa 分子量: 483.47

IUPAC Name: sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+]

InChIKey: UVOCNBWUHNCKJM-XFAPPKAWSA-M

InChI: InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
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牛蒡子苷
- ≥98%
CAS号 : 20362-31-6 Compound CID : 100528

分子式: C₂₇H₃₄O₁₁ 分子量: 534.55

IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one

SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC

InChIKey: XOJVHLIYNSOZOO-SWOBOCGESA-N

InChI: InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
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(R)-(-)-醋酸棉酚
- ≥98%
CAS号 : 866541-93-7

分子式: C₃₀H₃₀O₈·xC₂H₄O₂ 分子量: 518.55（free）

IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O

InChIKey: NIOHNDKHQHVLKA-UHFFFAOYSA-N

InChI: InChI=1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)
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2-氨基苯磺酸
- ≥99%
CAS号 : 88-21-1 Compound CID : 6926

分子式: C₆H₇NO₃S 分子量: 173.19

IUPAC Name: 2-aminobenzenesulfonic acid

SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)O

InChIKey: ZMCHBSMFKQYNKA-UHFFFAOYSA-N

InChI: InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
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抗坏血酸
- ≥99%(T)
CAS号 : 50-81-7 Compound CID : 54670067

分子式: C₆H₈O₆ 分子量: 176.12

IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

SMILES: OC([C@]([C@@H](O)CO)([H])O1)=C(O)C1=O

InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N

InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
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