General Information of the Compound
| Compound ID |
CP0489917
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| Compound Name |
4-oxo-N-[2-oxo-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethyl]-3-phenylphthalazine-1-carboxamide
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| Structure |
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| Formula |
C25H16F3N5O3S
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| Molecular Weight |
523.496
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| Canonical SMILES |
FC(F)(F)c1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
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| InChI |
InChI=1S/C25H16F3N5O3S/c26-25(27,28)14-10-11-18-19(12-14)37-24(30-18)31-20(34)13-29-22(35)21-16-8-4-5-9-17(16)23(36)33(32-21)15-6-2-1-3-7-15/h1-12H,13H2,(H,29,35)(H,30,31,34)
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| InChIKey |
HIUNEJVPIRRPFO-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