General Information of the Compound
| Compound ID |
CP0306783
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| Compound Name |
4-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C24H30Cl2N4O
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| Molecular Weight |
461.437
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| Canonical SMILES |
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl
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| InChI |
InChI=1S/C24H30Cl2N4O/c25-22-9-8-21(15-23(22)26)27-24(31)30-13-11-28(12-14-30)17-20-7-4-10-29(18-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20H,4,7,10-14,16-18H2,(H,27,31)/t20-/m0/s1
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| InChIKey |
XJDNAMFCUOWNRL-FQEVSTJZSA-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