General Information of the Compound
| Compound ID |
CP0373271
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(2-piperidin-1-yl-ethyl)-urea
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| Structure |
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| Formula |
C36H47ClN4O2
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| Molecular Weight |
603.251
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| Canonical SMILES |
OC1(CCN(CCCC(CNC(=O)NCCN2CCCCC2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C36H47ClN4O2/c37-33-17-15-32(16-18-33)36(43)20-26-41(27-21-36)25-10-19-35(30-11-4-1-5-12-30,31-13-6-2-7-14-31)29-39-34(42)38-22-28-40-23-8-3-9-24-40/h1-2,4-7,11-18,43H,3,8-10,19-29H2,(H2,38,39,42)
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| InChIKey |
XAWMVBRRSKLCED-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