小分子和化合物库
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STX64CAS号 : 288628-05-7 Compound CID : 5287541分子式: C14H15NO5S 分子量: 309.34IUPAC Name: (6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamateSMILES: C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)NInChIKey: DSLPMJSGSBLWRE-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
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4'-氨基-1,1'-联苯-4-磺酰胺CAS号 : 100142-87-8 Compound CID : 4961927分子式: C12H12N2O2S 分子量: 248.3IUPAC Name: 4-(4-aminophenyl)benzenesulfonamideSMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N)NInChIKey: OFWFFDCOBHXZME-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
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Furosemide (NSC 269420)CAS号 : 54-31-9(DMSO)分子式: C12H11ClN2O5S 分子量: 330.74SMILES: N[S](=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O
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Nilotinib (AMN-107)CAS号 : 641571-10-0(DMSO)分子式: C28H22F3N7O 分子量: 529.52SMILES: CC1=C[N](C=N1)C2=CC(=CC(=C2)C(F)(F)F)NC(=O)C3=CC=C(C)C(=C3)NC4=NC=CC(=N4)C5=CN=CC=C5
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伊马替尼CAS号 : 152459-95-5(DMSO)分子式: C29H31N7O 分子量: 493.6SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C)C(=C3)NC4=NC=CC(=N4)C5=CC=CN=C5
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伐地考昔CAS号 : 181695-72-7(DMSO)分子式: C16H14N2O3S 分子量: 314.36SMILES: CC1=C(C2=CC=C(C=C2)[S](N)(=O)=O)C(=NO1)C3=CC=CC=C3
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吲达帕胺CAS号 : 26807-65-8(DMSO)分子式: C16H16ClN3O3S 分子量: 365.83SMILES: CC1CC2=C(C=CC=C2)N1NC(=O)C3=CC=C(Cl)C(=C3)[S](N)(=O)=O
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塞来昔布CAS号 : 169590-42-5(DMSO)分子式: C17H14F3N3O2S 分子量: 381.37SMILES: CC1=CC=C(C=C1)C2=CC(=N[N]2C3=CC=C(C=C3)[S](N)(=O)=O)C(F)(F)F
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布林佐胺CAS号 : 138890-62-7(DMSO)分子式: C12H21N3O5S3 分子量: 383.51SMILES: CCNC1CN(CCCOC)[S](=O)(=O)C2=C1C=C(S2)[S](N)(=O)=O
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