General Information of the Compound
| Compound ID |
CP0875097
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| Compound Name |
((3R,4R)-4-Benzylpyrrolidin-3-ylmethyl)-(4-chlorophenyl)-phenylamine Hydrochloride Salt
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| Structure |
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| Formula |
C24H26Cl2N2
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| Molecular Weight |
413.392
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| Canonical SMILES |
Cl.Clc1ccc(N(C[C@H]2CNC[C@@H]2Cc2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H25ClN2.ClH/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19;/h1-14,20-21,26H,15-18H2;1H/t20-,21+;/m0./s1
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| InChIKey |
MDIWHQTUADQJAY-JUDYQFGCSA-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