General Information of the Compound
| Compound ID |
CP0553183
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| Compound Name |
4-(3-oxo-7-quinolin-3-yl-1-sulfanylidene-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl)-2-(trifluoromethyl)benzonitrile
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| Formula |
C28H17F3N4OS
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| Molecular Weight |
514.532
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C28H17F3N4OS/c29-28(30,31)22-13-21(8-5-19(22)14-32)34-26(36)25-10-7-18-11-16(6-9-24(18)35(25)27(34)37)20-12-17-3-1-2-4-23(17)33-15-20/h1-6,8-9,11-13,15,25H,7,10H2
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| InChIKey |
IVXKMLUSPXDIGK-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