General Information of the Compound
| Compound ID |
CP0434605
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| Compound Name |
1-tert-Butyl-3-{5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-urea
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| Structure |
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| Formula |
C33H42ClN3O2
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| Molecular Weight |
548.171
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| Canonical SMILES |
CC(C)(C)NC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H42ClN3O2/c1-31(2,3)36-30(38)35-25-32(26-11-6-4-7-12-26,27-13-8-5-9-14-27)19-10-22-37-23-20-33(39,21-24-37)28-15-17-29(34)18-16-28/h4-9,11-18,39H,10,19-25H2,1-3H3,(H2,35,36,38)
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| InChIKey |
IQAOPXDQHGLJKW-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