General Information of the Compound
| Compound ID |
CP0672244
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| Compound Name |
N-{7-Cyano-6-[3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
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| Structure |
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| Formula |
C26H18F3N5O3S
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| Molecular Weight |
537.523
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| Canonical SMILES |
N#Cc1c(Oc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12
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| InChI |
InChI=1S/C26H18F3N5O3S/c27-26(28,29)15-3-1-4-16(11-15)31-24(36)32-17-5-2-6-18(12-17)37-21-10-9-20-22(19(21)13-30)38-25(33-20)34-23(35)14-7-8-14/h1-6,9-12,14H,7-8H2,(H2,31,32,36)(H,33,34,35)
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| InChIKey |
QOQUGRJVQKYKFU-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