General Information of the Compound
| Compound ID |
CP0405256
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| Compound Name |
1-Benzyl-3-[2-(4-benzyl-piperidin-1-ylmethyl)-phenyl]-urea
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| Structure |
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| Formula |
C27H31N3O
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| Molecular Weight |
413.565
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| Canonical SMILES |
O=C(NCc1ccccc1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H31N3O/c31-27(28-20-24-11-5-2-6-12-24)29-26-14-8-7-13-25(26)21-30-17-15-23(16-18-30)19-22-9-3-1-4-10-22/h1-14,23H,15-21H2,(H2,28,29,31)
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| InChIKey |
WBKAFJHGIOLOIL-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