General Information of the Compound
| Compound ID |
CP0560312
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| Compound Name |
4-(3-oxo-7-pyridin-3-yl-1-sulfanylidene-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl)-2-(trifluoromethyl)benzonitrile
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| Formula |
C24H15F3N4OS
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| Molecular Weight |
464.472
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1cccnc1
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| InChI |
InChI=1S/C24H15F3N4OS/c25-24(26,27)19-11-18(6-3-16(19)12-28)30-22(32)21-8-5-15-10-14(17-2-1-9-29-13-17)4-7-20(15)31(21)23(30)33/h1-4,6-7,9-11,13,21H,5,8H2
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| InChIKey |
OXXJVZPXBHHDMZ-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