General Information of the Compound
| Compound ID |
CP0511699
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| Compound Name |
1-(4-chlorophenyl)-3-[3-(3-pyrrolidin-1-ylanilino)phenyl]urea
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| Structure |
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| Formula |
C23H23ClN4O
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| Molecular Weight |
406.917
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2cccc(Nc3cccc(c3)N3CCCC3)c2)cc1
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| InChI |
InChI=1S/C23H23ClN4O/c24-17-9-11-18(12-10-17)26-23(29)27-20-6-3-5-19(15-20)25-21-7-4-8-22(16-21)28-13-1-2-14-28/h3-12,15-16,25H,1-2,13-14H2,(H2,26,27,29)
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| InChIKey |
KOFNITGIVOUJDS-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