General Information of the Compound
| Compound ID |
CP0552833
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| Compound Name |
4-[7-(2-chloropyrimidin-5-yl)-3-oxo-1-sulfanylidene-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C23H13ClF3N5OS
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| Molecular Weight |
499.905
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1cnc(Cl)nc1
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| InChI |
InChI=1S/C23H13ClF3N5OS/c24-21-29-10-15(11-30-21)12-2-5-18-13(7-12)3-6-19-20(33)31(22(34)32(18)19)16-4-1-14(9-28)17(8-16)23(25,26)27/h1-2,4-5,7-8,10-11,19H,3,6H2
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| InChIKey |
IHGJFDAAXZXGQQ-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