General Information of the Compound
| Compound ID |
CP0479827
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| Compound Name |
4-(3-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-ureido)-piperidine-1-carboxylic acid methyl ester
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| Structure |
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| Formula |
C36H45ClN4O4
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| Molecular Weight |
633.233
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| Canonical SMILES |
COC(=O)N1CCC(CC1)NC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C36H45ClN4O4/c1-45-34(43)41-23-17-32(18-24-41)39-33(42)38-27-35(28-9-4-2-5-10-28,29-11-6-3-7-12-29)19-8-22-40-25-20-36(44,21-26-40)30-13-15-31(37)16-14-30/h2-7,9-16,32,44H,8,17-27H2,1H3,(H2,38,39,42)
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| InChIKey |
QNHKVEUPGHSYFU-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