General Information of the Compound
| Compound ID |
CP0372423
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| Compound Name |
4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-(cyclohexylmethyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C25H31BrClN3O
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| Molecular Weight |
504.9
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| Canonical SMILES |
Clc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C25H31BrClN3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
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| InChIKey |
TXMCPXVAYLCZFB-UHFFFAOYSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2