General Information of the Compound
| Compound ID |
CP0953805
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difIuorophenoxy)piperidin-1-yl)phenyl)isothiazole-3-carboxamide
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| Structure |
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| Formula |
C22H18F2N4O2S
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| Molecular Weight |
440.475
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccsn2)c1
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| InChI |
InChI=1S/C22H18F2N4O2S/c23-15-2-4-21(17(24)12-15)30-16-5-8-28(9-6-16)20-3-1-14(13-25)11-19(20)26-22(29)18-7-10-31-27-18/h1-4,7,10-12,16H,5-6,8-9H2,(H,26,29)
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| InChIKey |
TUKPHEJXTHIWGC-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