General Information of the Compound
| Compound ID |
CP0376365
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(4-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccccc2CN2CCC(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C27H31N3O2/c1-32-25-13-11-24(12-14-25)28-27(31)29-26-10-6-5-9-23(26)20-30-17-15-22(16-18-30)19-21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H2,28,29,31)
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| InChIKey |
IWXGUKFSFRGFJT-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