General Information of the Compound
| Compound ID |
CP0558228
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| Compound Name |
4-(7-bromo-3-oxo-1-sulfanylidene-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl)-2-(trifluoromethyl)benzonitrile
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| Formula |
C19H11BrF3N3OS
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| Molecular Weight |
466.282
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(Br)ccc3N2C1=S
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| InChI |
InChI=1S/C19H11BrF3N3OS/c20-12-3-6-15-10(7-12)2-5-16-17(27)25(18(28)26(15)16)13-4-1-11(9-24)14(8-13)19(21,22)23/h1,3-4,6-8,16H,2,5H2
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| InChIKey |
IEDUCADLOUQKEC-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