General Information of the Compound
| Compound ID |
CP0469881
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| Compound Name |
[2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
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| Structure |
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| Formula |
C29H23ClF3N5O
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| Molecular Weight |
549.984
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| Canonical SMILES |
Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(-c3ccccc3)c(Cl)c2c1
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| InChI |
InChI=1S/C29H23ClF3N5O/c1-37-17-34-16-24(37)28(39,20-9-11-23(35-15-20)29(31,32)33)19-8-10-22-21(14-19)26(30)25(18-6-3-2-4-7-18)27(36-22)38-12-5-13-38/h2-4,6-11,14-17,39H,5,12-13H2,1H3
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| InChIKey |
SJFDOXSZJJKUCV-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