Name: Targaprimir-96
Rating: 5 (10 reviews)

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HIT ID:HIT212670594
Cas No:1655508-14-7
常用名:Targaprimir-96
IUPAC:N-[({[(carbamoylmethyl)({1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamide
IUPAC:N-[({[(carbamoylmethyl)({1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamide
InChI key:OLEDRJJUXAAJFN-UHFFFAOYSA-N

分子式:C77H102N18O7
分子量:1391.782
氢键供体数 (HBD):5
氢键受体数 (HBA):16
LogP:8.036983
SMILES:CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=O)CCCOc2c(cc(cc2C(C)(C)C)-c2nc3ccc(cc3[nH]2)N2CCN(C)CC2)C(C)(C)C)nn1)C(=O)CCCOc1cccc(c1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1
SMILES:CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=O)CCCOc2c(cc(cc2C(C)(C)C)-c2nc3ccc(cc3[nH]2)N2CCN(C)CC2)C(C)(C)C)nn1)C(=O)CCCOc1cccc(c1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1

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