General Information of the Compound
| Compound ID |
CP0424944
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-phenyl-urea
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| Structure |
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| Formula |
C35H38ClN3O2
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| Molecular Weight |
568.161
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| Canonical SMILES |
OC1(CCN(CCCC(CNC(=O)Nc2ccccc2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C35H38ClN3O2/c36-31-19-17-30(18-20-31)35(41)22-25-39(26-23-35)24-10-21-34(28-11-4-1-5-12-28,29-13-6-2-7-14-29)27-37-33(40)38-32-15-8-3-9-16-32/h1-9,11-20,41H,10,21-27H2,(H2,37,38,40)
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| InChIKey |
YWPRMGZYWMCDAA-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