General Information of the Compound
| Compound ID |
CP0469334
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| Compound Name |
(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoropyridin-4-yl)-(3-methylimidazol-4-yl)methanol
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| Structure |
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| Formula |
C25H17Cl2FN4O
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| Molecular Weight |
479.342
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| Canonical SMILES |
Cn1cncc1C(O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
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| InChI |
InChI=1S/C25H17Cl2FN4O/c1-32-14-29-13-20(32)25(33,17-9-10-30-21(28)12-17)16-7-8-19-18(11-16)23(26)22(24(27)31-19)15-5-3-2-4-6-15/h2-14,33H,1H3
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| InChIKey |
GEMBJEMKKMOHEJ-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