General Information of the Compound
| Compound ID |
CP0389821
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| Compound Name |
1-{2-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-phenyl}-3-(3-cyano-phenyl)-urea
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| Structure |
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| Formula |
C28H30N4O
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| Molecular Weight |
438.575
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#N)Nc1ccccc1CCN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C28H30N4O/c29-21-24-9-6-11-26(20-24)30-28(33)31-27-12-5-4-10-25(27)15-18-32-16-13-23(14-17-32)19-22-7-2-1-3-8-22/h1-12,20,23H,13-19H2,(H2,30,31,33)
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| InChIKey |
YSFKPULSVDIJEL-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