General Information of the Compound
| Compound ID |
CP0577992
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| Compound Name |
4-[3-oxo-1-sulfanylidene-7-[6-(trifluoromethyl)pyridin-3-yl]-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C25H14F6N4OS
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| Molecular Weight |
532.469
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| Canonical SMILES |
FC(F)(F)c1ccc(cn1)-c1ccc2N3C(CCc2c1)C(=O)N(C3=S)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H14F6N4OS/c26-24(27,28)18-10-17(5-1-15(18)11-32)34-22(36)20-7-3-14-9-13(2-6-19(14)35(20)23(34)37)16-4-8-21(33-12-16)25(29,30)31/h1-2,4-6,8-10,12,20H,3,7H2
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| InChIKey |
WZWAZSAKNYREQX-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