General Information of the Compound
| Compound ID |
CP0093142
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| Compound Name |
3-fluoro-N-((S)-1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phenylsulfonylmethyl)cyclohexyl)-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C29H35F4N3O4S
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| Molecular Weight |
597.675
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| Canonical SMILES |
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C29H35F4N3O4S/c1-18(2)35(3)23-9-10-26(20(15-23)17-41(39,40)24-7-5-4-6-8-24)36-12-11-25(28(36)38)34-27(37)19-13-21(29(31,32)33)16-22(30)14-19/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,34,37)/t20-,23+,25-,26-/m0/s1
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| InChIKey |
VFEUENDJIZXPKO-KIKDMBQDSA-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