General Information of the Compound
| Compound ID |
CP0519133
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| Compound Name |
2-(4-Chlorophenyl)-2-(1-((1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetonitrile
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| Structure |
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| Formula |
C19H18ClF3N4O2S
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| Molecular Weight |
458.893
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| Canonical SMILES |
Cc1c(c(nn1C)C(F)(F)F)S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H18ClF3N4O2S/c1-12-17(18(19(21,22)23)25-26(12)2)30(28,29)27-9-7-14(8-10-27)16(11-24)13-3-5-15(20)6-4-13/h3-6H,7-10H2,1-2H3
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| InChIKey |
ORLKIYKAPSAHTN-UHFFFAOYSA-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