General Information of the Compound
| Compound ID |
CP0409511
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| Compound Name |
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl)methyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C36H41Cl2N3O2
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| Molecular Weight |
618.649
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(C(=O)N1CCCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C36H41Cl2N3O2/c1-39(25-27-11-5-2-6-12-27)34(43)36(29-15-16-31(37)32(38)23-29)24-30(36)26-40-21-17-35(18-22-40,28-13-7-3-8-14-28)33(42)41-19-9-4-10-20-41/h2-3,5-8,11-16,23,30H,4,9-10,17-22,24-26H2,1H3/t30-,36+/m0/s1
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| InChIKey |
GBSQCLVMGDMQSW-RYWJPUDZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound