小分子
选项
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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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CefoperazoneCAS号 : 62893-19-0(DMSO)分子式: C25H27N9O8S2 分子量: 645.67SMILES: CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(O)=O)CSC4=NN=N[N]4C)C5=CC=C(O)C=C5)C(=O)C1=O
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头孢唑林CAS号 : 25953-19-9分子式: C14H14N8O4S3 分子量: 454.51IUPAC Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)OInChIKey: MLYYVTUWGNIJIB-BXKDBHETSA-NInChI: InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
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二氟苯水杨酸CAS号 : 22494-42-4分子式: C13H8F2O3 分子量: 250.2IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acidSMILES: C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)OInChIKey: HUPFGZXOMWLGNK-UHFFFAOYSA-NInChI: InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)