General Information of the Compound
| Compound ID |
CP0479823
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-isopropyl-urea
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| Structure |
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| Formula |
C32H40ClN3O2
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| Molecular Weight |
534.144
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| Canonical SMILES |
CC(C)NC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H40ClN3O2/c1-25(2)35-30(37)34-24-31(26-10-5-3-6-11-26,27-12-7-4-8-13-27)18-9-21-36-22-19-32(38,20-23-36)28-14-16-29(33)17-15-28/h3-8,10-17,25,38H,9,18-24H2,1-2H3,(H2,34,35,37)
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| InChIKey |
BKEFXMVWRHAVTF-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