General Information of the Compound
| Compound ID |
CP0402897
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(3-hydroxy-propyl)-urea
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
OCCCNC(=O)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H31N3O2/c27-16-6-13-24-23(28)25-22-10-5-4-9-21(22)18-26-14-11-20(12-15-26)17-19-7-2-1-3-8-19/h1-5,7-10,20,27H,6,11-18H2,(H2,24,25,28)
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| InChIKey |
OXWRFVHWXRBUFE-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3