General Information of the Compound
| Compound ID |
CP0515862
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| Compound Name |
N-[1-[(4-acetylphenyl)methyl]piperidin-4-yl]-5-chloro-2-(1H-imidazol-5-ylmethylamino)benzamide
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| Structure |
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| Formula |
C25H28ClN5O2
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| Molecular Weight |
465.985
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| Canonical SMILES |
CC(=O)c1ccc(CN2CCC(CC2)NC(=O)c2cc(Cl)ccc2NCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C25H28ClN5O2/c1-17(32)19-4-2-18(3-5-19)15-31-10-8-21(9-11-31)30-25(33)23-12-20(26)6-7-24(23)28-14-22-13-27-16-29-22/h2-7,12-13,16,21,28H,8-11,14-15H2,1H3,(H,27,29)(H,30,33)
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| InChIKey |
SKAZPBWHNNXIKX-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