小分子和化合物库
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1-(3-氯苯胺基)-4-苯基酞嗪CAS号 : 78351-75-4分子式: C20H14ClN3 分子量: 331.8IUPAC Name: N-(3-chlorophenyl)-4-phenylphthalazin-1-amineSMILES: C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)ClInChIKey: CEHQLKSLMFIHBF-UHFFFAOYSA-NInChI: InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
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MBCQCAS号 : 150450-53-6 Compound CID : 6610310分子式: C16H12ClN3O2 分子量: 313.74IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amineSMILES: C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)ClInChIKey: CNODHOSDWZLJGA-UHFFFAOYSA-NInChI: InChI=1S/C16H12ClN3O2/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-14-15(5-10)22-9-21-14/h1-6,8H,7,9H2,(H,18,19,20)
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N-去甲基西地那非CAS号 : 139755-82-1 Compound CID : 135455980分子式: C21H28N6O4S 分子量: 460.55IUPAC Name: 5-(2-ethoxy-5-piperazin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneSMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC)CInChIKey: UZTKBZXHEOVDRL-UHFFFAOYSA-NInChI: InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)
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双嘧达莫CAS号 : 58-32-2(DMSO)分子式: C24H40N8O4 分子量: 504.63SMILES: OCCN(CCO)C1=NC2=C(N=C(N=C2N3CCCCC3)N(CCO)CCO)C(=N1)N4CCCCC4
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咯利普兰CAS号 : 61413-54-5(DMSO)分子式: C16H21NO3 分子量: 275.34SMILES: COC1=C(OC2CCCC2)C=C(C=C1)C3CNC(=O)C3
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枸橼酸西地那非CAS号 : 171599-83-0(DMSO)分子式: C22H30N6O4S·C6H8O7 分子量: 666.7SMILES: CCCC1=N[N](C)C2=C1N=C(NC2=O)C3=CC(=CC=C3OCC)[S](=O)(=O)N4CCN(C)CC4.OC(=O)CC(O)(CC(O)=O)C(O)=O
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西力士CAS号 : 171596-29-5(DMSO)分子式: C22H19N3O4 分子量: 389.4SMILES: CN1CC(=O)N2C(CC3=C([NH]C4=C3C=CC=C4)C2C5=CC=C6OCOC6=C5)C1=O
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阿伐那非CAS号 : 330784-47-9(DMSO)分子式: C23H26ClN7O3 分子量: 483.95SMILES: COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N3CCCC3CO)C(=O)NCC4=NC=CC=N4)C=C1
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2-(2,6-二氯苯氨基)苯乙酸CAS号 : 15307-86-5分子式: C14H11Cl2NO2 分子量: 296.15IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acidSMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)ClInChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-NInChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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