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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Alisertib (MLN8237)CAS号 : 1028486-01-2(DMSO)分子式: C27H20ClFN4O4 分子量: 518.92SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=C(N=C(NC4=CC(=C(C=C4)C(O)=O)OC)N=C3)C5=C2C=C(Cl)C=C5
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CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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IOX2CAS号 : 931398-72-0(DMSO)分子式: C19H16N2O5 分子量: 352.34SMILES: OC(=O)CNC(=O)C1=C(O)C2=C(C=CC=C2)N(CC3=CC=CC=C3)C1=O
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PrucaloprideCAS号 : 179474-81-8(DMSO)分子式: C18H26ClN3O3 分子量: 367.87SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(N)C3=C2OCC3)Cl
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Enarodustat (JTZ-951)CAS号 : 1262132-81-9分子式: C17H16N4O4 分子量: 340.33IUPAC Name: 2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acidSMILES: C1=CC=C(C=C1)CCC2=CC(=O)C(=C3N2NC=N3)C(=O)NCC(=O)OInChIKey: FJYRBJKWDXVHHO-UHFFFAOYSA-NInChI: InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
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IOX4CAS号 : 1154097-71-8分子式: C15H16N6O3 分子量: 328.33IUPAC Name: tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylateSMILES: CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3InChIKey: HWQQDVNGHZIALS-UHFFFAOYSA-NInChI: InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
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MK-8617CAS号 : 1187990-87-9分子式: C24H21N5O4 分子量: 443.45IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamideSMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4InChIKey: WXLPERVDMILVIF-UHFFFAOYSA-NInChI: InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)
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甲氧氯普胺CAS号 : 364-62-5分子式: C14H22ClN3O2 分子量: 299.8IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamideSMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)ClInChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-NInChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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PF-04995274CAS号 : 1331782-27-4 Compound CID : 53354764分子式: C23H32N2O6 分子量: 432.51IUPAC Name: 4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-olSMILES: C1CN(CCC1COC2=NOC3=C2C(=CC=C3)OC4CCOC4)CC5(CCOCC5)OInChIKey: WLLOFQROROXOMO-GOSISDBHSA-NInChI: InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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TP0463518CAS号 : 1558021-37-6 Compound CID : 73052863分子式: C20H18ClN3O6 分子量: 431.83IUPAC Name: 2-[[1-[[6-(4-chlorophenoxy)pyridin-3-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acidSMILES: C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)ClInChIKey: HMMHKGLPKAQOOH-UHFFFAOYSA-NInChI: InChI=1S/C20H18ClN3O6/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27)
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VadadustatCAS号 : 1000025-07-9分子式: C14H11ClN2O4 分子量: 306.701IUPAC Name: 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acidSMILES: C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)OInChIKey: JGRXMPYUTJLTKT-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
