General Information of the Compound
| Compound ID |
CP0398998
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| Compound Name |
4-((4-Chlorophenyl)(o-tolyl)methyl)-N-(cyclohexylmethyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H34ClN3O
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| Molecular Weight |
440.031
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| Canonical SMILES |
Cc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H34ClN3O/c1-20-7-5-6-10-24(20)25(22-11-13-23(27)14-12-22)29-15-17-30(18-16-29)26(31)28-19-21-8-3-2-4-9-21/h5-7,10-14,21,25H,2-4,8-9,15-19H2,1H3,(H,28,31)
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| InChIKey |
LTCYWRLZUYNAQC-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