General Information of the Compound
| Compound ID |
CP0463755
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(3-cyano-phenyl)-urea
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| Structure |
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| Formula |
C27H28N4O
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| Molecular Weight |
424.548
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#N)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H28N4O/c28-19-23-9-6-11-25(18-23)29-27(32)30-26-12-5-4-10-24(26)20-31-15-13-22(14-16-31)17-21-7-2-1-3-8-21/h1-12,18,22H,13-17,20H2,(H2,29,30,32)
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| InChIKey |
RCGRXJAFIJOAFV-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