General Information of the Compound
| Compound ID |
CP0476971
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(4-trifluoromethyl-phenyl)-urea
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| Structure |
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| Formula |
C36H37ClF3N3O2
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| Molecular Weight |
636.158
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| Canonical SMILES |
OC1(CCN(CCCC(CNC(=O)Nc2ccc(cc2)C(F)(F)F)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C36H37ClF3N3O2/c37-31-16-12-29(13-17-31)35(45)21-24-43(25-22-35)23-7-20-34(27-8-3-1-4-9-27,28-10-5-2-6-11-28)26-41-33(44)42-32-18-14-30(15-19-32)36(38,39)40/h1-6,8-19,45H,7,20-26H2,(H2,41,42,44)
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| InChIKey |
DVTKMMOXUSPMJV-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