General Information of the Compound
| Compound ID |
CP0294073
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C28H37N3O4S
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| Molecular Weight |
511.688
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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)c2ccccc2)C1=O
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| InChI |
InChI=1S/C28H37N3O4S/c1-20(2)30(3)23-14-15-26(22(18-23)19-36(34,35)24-12-8-5-9-13-24)31-17-16-25(28(31)33)29-27(32)21-10-6-4-7-11-21/h4-13,20,22-23,25-26H,14-19H2,1-3H3,(H,29,32)/t22-,23+,25-,26-/m0/s1
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| InChIKey |
KWEMWXSXTGQSGX-AYEHBTSNSA-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