General Information of the Compound
| Compound ID |
CP0550421
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| Compound Name |
2-chloro-N-[(3R,4S)-1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
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| Structure |
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| Formula |
C27H27ClN2O4
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| Molecular Weight |
478.976
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CC[C@H](NC(=O)c2ccccc2Cl)[C@@H](C1)c1ccccc1
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| InChI |
InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23-/m0/s1
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| InChIKey |
BJBRZZQBAKRNIU-GMAHTHKFSA-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