General Information of the Compound
| Compound ID |
CP0467831
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| Compound Name |
3-cyano-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)benzenesulfonamide
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| Formula |
C27H30F3N5O2S
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| Molecular Weight |
545.631
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccc(c2)C#N)CC1)C#N
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| InChI |
InChI=1S/C27H30F3N5O2S/c28-27(29,30)23-14-22(19-32)15-25(17-23)35-12-10-34(11-13-35)9-8-20-4-6-24(7-5-20)33-38(36,37)26-3-1-2-21(16-26)18-31/h1-3,14-17,20,24,33H,4-13H2/t20-,24-
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| InChIKey |
SHWRVFAKOGFBCZ-LSNLESRRSA-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