General Information of the Compound
| Compound ID |
CP0968404
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| Compound Name |
(S)-N-(3-(4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-oxopropyl)benzamide
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| Structure |
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| Formula |
C23H27ClN2O3
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| Molecular Weight |
414.933
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| Canonical SMILES |
CC1(C)CN(C(=O)CCNC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H27ClN2O3/c1-22(2)16-26(15-13-23(22,29)18-8-10-19(24)11-9-18)20(27)12-14-25-21(28)17-6-4-3-5-7-17/h3-11,29H,12-16H2,1-2H3,(H,25,28)/t23-/m0/s1
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| InChIKey |
VYECHDKKEHLGPW-QHCPKHFHSA-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