General Information of the Compound
| Compound ID |
CP0438827
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(4-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C36H40ClN3O3
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| Molecular Weight |
598.187
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| Canonical SMILES |
COc1ccc(NC(=O)NCC(CCCN2CCC(O)(CC2)c2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C36H40ClN3O3/c1-43-33-19-17-32(18-20-33)39-34(41)38-27-35(28-9-4-2-5-10-28,29-11-6-3-7-12-29)21-8-24-40-25-22-36(42,23-26-40)30-13-15-31(37)16-14-30/h2-7,9-20,42H,8,21-27H2,1H3,(H2,38,39,41)
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| InChIKey |
NTCHDYONCQSCJY-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