General Information of the Compound
| Compound ID |
CP0853267
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| Compound Name |
(S)-N-(4-(2-(4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-oxoethyl)tetrahydro-2H-pyran-4-yl)benzamide
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| Structure |
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| Formula |
C27H33ClN2O4
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| Molecular Weight |
485.024
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| Canonical SMILES |
CC1(C)CN(C(=O)CC2(NC(=O)c3ccccc3)CCOCC2)CC[C@]1(O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H33ClN2O4/c1-25(2)19-30(15-12-27(25,33)21-8-10-22(28)11-9-21)23(31)18-26(13-16-34-17-14-26)29-24(32)20-6-4-3-5-7-20/h3-11,33H,12-19H2,1-2H3,(H,29,32)/t27-/m0/s1
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| InChIKey |
LTJYHAFLKWBRGW-MHZLTWQESA-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