Name: ZXH-3-26
Rating: 5 (10 reviews)

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HIT ID:HIT212080414
Cas No:2243076-67-5
常用名:ZXH-3-26
IUPAC:methyl 2-[(9S)-7-(4-chlorophenyl)-4-[(5-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}pentyl)carbamoyl]-5,13-dimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
IUPAC:methyl 2-[(9S)-7-(4-chlorophenyl)-4-[(5-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}pentyl)carbamoyl]-5,13-dimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
InChI key:OTKOFICOCDRNDA-PMCHYTPCSA-N

分子式:C38H37ClN8O7S
分子量:785.27
氢键供体数 (HBD):3
氢键受体数 (HBA):10
LogP:3.7514656
SMILES:COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1ccc(Cl)cc1 |c:6|
SMILES:COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1ccc(Cl)cc1 |c:6|

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