General Information of the Compound
| Compound ID |
CP0116659
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-(4-cyano-3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C23H24N4OS
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| Molecular Weight |
404.539
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| Canonical SMILES |
CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1
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| InChI |
InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1
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| InChIKey |
NMLYRXXREIIYKN-SFTDATJTSA-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