General Information of the Compound
| Compound ID |
CP0271959
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[ethyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H38F3N3O4S
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| Molecular Weight |
593.712
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| Canonical SMILES |
CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C30H38F3N3O4S/c1-4-35(20(2)3)24-13-14-27(22(18-24)19-41(39,40)25-11-6-5-7-12-25)36-16-15-26(29(36)38)34-28(37)21-9-8-10-23(17-21)30(31,32)33/h5-12,17,20,22,24,26-27H,4,13-16,18-19H2,1-3H3,(H,34,37)/t22-,24+,26-,27-/m0/s1
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| InChIKey |
GGIXBIVLYUNLOM-JIWYJQEDSA-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