General Information of the Compound
| Compound ID |
CP0967192
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| Compound Name |
2-(4-Chlorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidin-4-ylidene)acetonitrile
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| Structure |
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| Formula |
C19H21ClN4O2S
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| Molecular Weight |
404.923
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1CC/C(=C(\C#N)c2ccc(Cl)cc2)C(C)C1
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| InChI |
InChI=1S/C19H21ClN4O2S/c1-12-11-24(27(25,26)19-13(2)22-23-14(19)3)9-8-17(12)18(10-21)15-4-6-16(20)7-5-15/h4-7,12H,8-9,11H2,1-3H3,(H,22,23)/b18-17-
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| InChIKey |
UHAAKMVWUJVWNK-ZCXUNETKSA-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