General Information of the Compound
| Compound ID |
CP0558230
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| Compound Name |
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-1-sulfanylidene-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C24H17F3N4O2S
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| Molecular Weight |
482.487
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc2N3C(CCc2c1)C(=O)N(C3=S)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H17F3N4O2S/c1-12-21(13(2)33-29-12)15-5-7-19-14(9-15)4-8-20-22(32)30(23(34)31(19)20)17-6-3-16(11-28)18(10-17)24(25,26)27/h3,5-7,9-10,20H,4,8H2,1-2H3
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| InChIKey |
GGCYHGKHQORHAO-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