General Information of the Compound
| Compound ID |
CP0498917
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| Compound Name |
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-(N-methylacetamido)-4-phenylpiperidin-1-yl)methyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C33H37Cl2N3O2
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| Molecular Weight |
578.584
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H37Cl2N3O2/c1-24(39)37(3)32(26-12-8-5-9-13-26)16-18-38(19-17-32)23-28-21-33(28,27-14-15-29(34)30(35)20-27)31(40)36(2)22-25-10-6-4-7-11-25/h4-15,20,28H,16-19,21-23H2,1-3H3/t28-,33+/m0/s1
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| InChIKey |
BAOSJUSHNIOEOW-QPQHGXMVSA-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