General Information of the Compound
| Compound ID |
CP0558229
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| Compound Name |
4-[3-oxo-1-sulfanylidene-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C26H15F6N3OS
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| Molecular Weight |
531.481
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1ccc2N3C(CCc2c1)C(=O)N(C3=S)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H15F6N3OS/c27-25(28,29)18-6-1-14(2-7-18)15-4-9-21-16(11-15)5-10-22-23(36)34(24(37)35(21)22)19-8-3-17(13-33)20(12-19)26(30,31)32/h1-4,6-9,11-12,22H,5,10H2
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| InChIKey |
AWLSBIKKDYZOKD-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