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N-棕榈酰-鞘氨醇-1-{琥珀酰[甲氧基(聚乙二醇)2000]}CAS号 : 212116-78-4 Compound CID : 156593866分子式: C41H77NO7 分子量: 696.1IUPAC Name: 4-O-[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 1-O-(2-methoxyethyl) butanedioateSMILES: CCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCC(=O)OCCOC)C(C=CCCCCCCCCCCCCC)OInChIKey: AVEKIUFLDWAVJR-SJCQXOIGSA-NInChI: InChI=1S/C41H77NO7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(43)37(36-49-41(46)33-32-40(45)48-35-34-47-3)42-39(44)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h28,30,37-38,43H,4-27,29,31-36H2,1-3H3,(H,42,44)/b30-28+
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PFI-1,BET溴结构域抑制剂CAS号 : 1403764-72-6 Compound CID : 71271629分子式: C16H17N3O4S 分子量: 347.39IUPAC Name: 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamideSMILES: CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=OInChIKey: TXZPMHLMPKIUGK-UHFFFAOYSA-NInChI: InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
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(+)-JQ1,BET溴结构域抑制剂CAS号 : 1268524-70-4分子式: C23H25ClN4O2S 分子量: 456.99IUPAC Name: tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)CInChIKey: DNVXATUJJDPFDM-KRWDZBQOSA-NInChI: InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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2-(2,6-二氧代 - 哌啶-3-基)-4-羟基 - 异吲哚-1,3-二酮分子式: C13H10N2O5 分子量: 274.23IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OInChIKey: XMPJICVFSDYOEG-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
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Thalidomide-O-COOHCAS号 : 1061605-21-7 Compound CID : 25015436分子式: C15H12N2O7 分子量: 332.26IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)OInChIKey: ZVWIXIGBWIEDFO-UHFFFAOYSA-NInChI: InChI=1S/C15H12N2O7/c18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
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泊马度胺 4'-PEG2-胺 盐酸盐CAS号 : 2245697-87-2 Compound CID : 134812848分子式: C19H25ClN4O6 分子量: 440.88IUPAC Name: 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCN.ClInChIKey: BIBZEYIXXZHGNZ-UHFFFAOYSA-NInChI: InChI=1S/C19H24N4O6.ClH/c20-6-8-28-10-11-29-9-7-21-13-3-1-2-12-16(13)19(27)23(18(12)26)14-4-5-15(24)22-17(14)25;/h1-3,14,21H,4-11,20H2,(H,22,24,25);1H
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泊马度胺 4'-PEG1-胺盐酸盐CAS号 : 2154342-56-8 Compound CID : 154828688分子式: C17H21ClN4O5 分子量: 396.83IUPAC Name: 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCN.ClInChIKey: LQYLHZFKGOZTOH-UHFFFAOYSA-NInChI: InChI=1S/C17H20N4O5.ClH/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23;/h1-3,12,19H,4-9,18H2,(H,20,22,23);1H
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泊马度胺 4'-PEG3-酸CAS号 : 2138440-82-9 Compound CID : 132020335分子式: C22H27N3O9 分子量: 477.46IUPAC Name: 3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCC(=O)OInChIKey: QBYOEHKZQIFBGV-UHFFFAOYSA-NInChI: InChI=1S/C22H27N3O9/c26-17-5-4-16(20(29)24-17)25-21(30)14-2-1-3-15(19(14)22(25)31)23-7-9-33-11-13-34-12-10-32-8-6-18(27)28/h1-3,16,23H,4-13H2,(H,27,28)(H,24,26,29)
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泊马利度胺4'-烷基C5-胺盐酸盐CAS号 : 2375194-03-7 Compound CID : 139211245分子式: C18H22N4O4.HCl 分子量: 394.86IUPAC Name: 4-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCN.ClInChIKey: WJDRWFHGNHTFHU-UHFFFAOYSA-NInChI: InChI=1S/C18H22N4O4.ClH/c19-9-2-1-3-10-20-12-6-4-5-11-15(12)18(26)22(17(11)25)13-7-8-14(23)21-16(13)24;/h4-6,13,20H,1-3,7-10,19H2,(H,21,23,24);1H
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(S)-(-)-沙利度胺分子式: C13H10N2O4 分子量: 258.23IUPAC Name: 2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=OInChIKey: UEJJHQNACJXSKW-VIFPVBQESA-NInChI: InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
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Perifosine (KRX-0401)CAS号 : 157716-52-4 Compound CID : 148177分子式: C25H52NO4P 分子量: 461.66IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphateSMILES: CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)CInChIKey: SZFPYBIJACMNJV-UHFFFAOYSA-NInChI: InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3
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2-(2,6-二氧代哌啶-3-基)-5,6-二氟异吲哚啉-1,3-二酮CAS号 : 1496997-41-1分子式: C13H8F2N2O4 分子量: 294.21IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)FInChIKey: AGHXYRKTAZEQQW-UHFFFAOYSA-NInChI: InChI=1S/C13H8F2N2O4/c14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h3-4,9H,1-2H2,(H,16,18,19)