General Information of the Compound
| Compound ID |
CP0147380
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| Compound Name |
4-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-N-(3-(trifluoromethyl)phenyl)isothiazole-3-carboxamide
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| Structure |
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| Formula |
C20H16F3N3O3S
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| Molecular Weight |
435.427
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)c2nscc2NCCc2ccc3OCOc3c2)c1
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| InChI |
InChI=1S/C20H16F3N3O3S/c21-20(22,23)13-2-1-3-14(9-13)25-19(27)18-15(10-30-26-18)24-7-6-12-4-5-16-17(8-12)29-11-28-16/h1-5,8-10,24H,6-7,11H2,(H,25,27)
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| InChIKey |
AXLWRBCJXLSOFY-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