General Information of the Compound
| Compound ID |
CP0528916
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-cyclohexylmethyl-urea
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| Structure |
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| Formula |
C36H46ClN3O2
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| Molecular Weight |
588.236
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| Canonical SMILES |
OC1(CCN(CCCC(CNC(=O)NCC2CCCCC2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C36H46ClN3O2/c37-33-19-17-32(18-20-33)36(42)22-25-40(26-23-36)24-10-21-35(30-13-6-2-7-14-30,31-15-8-3-9-16-31)28-39-34(41)38-27-29-11-4-1-5-12-29/h2-3,6-9,13-20,29,42H,1,4-5,10-12,21-28H2,(H2,38,39,41)
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| InChIKey |
JQAMPRHNZFBEDN-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