General Information of the Compound
| Compound ID |
CP0430734
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-(dimethylamino)cyclohexyl]-2-oxopiperidin-3-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H34F3N3O4S
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| Molecular Weight |
565.658
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| Canonical SMILES |
CN(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C28H34F3N3O4S/c1-33(2)22-13-14-25(20(17-22)18-39(37,38)23-10-4-3-5-11-23)34-15-7-12-24(27(34)36)32-26(35)19-8-6-9-21(16-19)28(29,30)31/h3-6,8-11,16,20,22,24-25H,7,12-15,17-18H2,1-2H3,(H,32,35)/t20-,22+,24-,25-/m0/s1
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| InChIKey |
NLIYRTKVNAIJQT-OZTAZYLFSA-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