小分子和化合物库
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SCH-1473759CAS号 : 1094069-99-4 Compound CID : 25144732分子式: C20H26N8OS 分子量: 426.54IUPAC Name: 2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-olSMILES: CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)COInChIKey: RHGZQGXELRMGES-UHFFFAOYSA-NInChI: InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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(S)-(+)-喜树碱CAS号 : 7689-03-4分子式: C20H16N2O4 分子量: 348.35IUPAC Name: (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dioneSMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OInChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-NInChI: InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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(S)-(+)-喜树碱CAS号 : 7689-03-4(DMSO)分子式: C20H16N2O4 分子量: 348.35SMILES: CCC1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=CC=CC5=C4)C2=O
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AZD7762CAS号 : 860352-01-8(DMSO)分子式: C17H19FN4O2S 分子量: 362.42SMILES: NC(=O)NC1=C(SC(=C1)C2=CC(=CC=C2)F)C(=O)NC3CCCNC3
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BX-795CAS号 : 702675-74-9(DMSO)分子式: C23H26IN7O2S 分子量: 591.47SMILES: IC1=CN=C(NC2=CC(=CC=C2)NC(=O)N3CCCC3)N=C1NCCCNC(=O)C4=CC=CS4
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BX-912CAS号 : 702674-56-4(DMSO)分子式: C20H23BrN8O 分子量: 471.35SMILES: BrC1=CN=C(NC2=CC(=CC=C2)NC(=O)N3CCCC3)N=C1NCCC4=CN=C[NH]4
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CHIR-124CAS号 : 405168-58-3(DMSO)分子式: C23H22ClN5O 分子量: 419.91SMILES: ClC1=CC2=C(NC(=O)C(=C2NC3CN4CCC3CC4)C5=NC6=C([NH]5)C=CC=C6)C=C1
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Rabusertib (LY2603618)CAS号 : 911222-45-2(DMSO)分子式: C18H22BrN5O3 分子量: 436.3SMILES: CC1=NC=C(NC(=O)NC2=C(OCC3CNCCO3)C=C(C)C(=C2)Br)N=C1
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MK-8776 (SCH 900776)CAS号 : 891494-63-6(DMSO)分子式: C15H18BrN7 分子量: 376.25SMILES: C[N]1C=C(C=N1)C2=C3N=C(C4CCCNC4)C(=C(N)[N]3N=C2)Br
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PF-477736CAS号 : 952021-60-2(DMSO)分子式: C22H25N7O2 分子量: 419.48SMILES: C[N]1C=C(C=N1)C2=C3C=NNC(=O)C4=C3C(=CC(=C4)NC(=O)C(N)C5CCCCC5)[NH]2
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SAR-020106CAS号 : 1184843-57-9 Compound CID : 44203948分子式: C19H19ClN6O 分子量: 382.85IUPAC Name: 5-[(8-chloroisoquinolin-3-yl)amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrileSMILES: CC(CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3ClInChIKey: SRBJWIBAMIKCMV-GFCCVEGCSA-NInChI: InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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CCT245737CAS号 : 1489389-18-5 Compound CID : 72165232分子式: C16H16F3N7O 分子量: 379.34IUPAC Name: 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrileSMILES: C1COC(CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#NInChIKey: YBYYWUUUGCNAHQ-LLVKDONJSA-NInChI: InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1
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