General Information of the Compound
| Compound ID |
CP0423245
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| Compound Name |
N-[(1S)-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
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| InChI |
InChI=1S/C29H36N4O2/c1-21(19-26(22-9-4-2-5-10-22)30-28(34)24-13-8-14-24)32-17-15-25(16-18-32)33-20-27(31-29(33)35)23-11-6-3-7-12-23/h2-7,9-12,20-21,24-26H,8,13-19H2,1H3,(H,30,34)(H,31,35)/t21?,26-/m0/s1
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| InChIKey |
YUQVDSNVEXLLAE-UQTORGHUSA-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: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2