General Information of the Compound
| Compound ID |
CP0291452
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| Compound Name |
1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
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| Structure |
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| Formula |
C23H14F4N4O
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| Molecular Weight |
438.384
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(c4)C(F)(F)F)c3c2c1
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| InChI |
InChI=1S/C23H14F4N4O/c1-30-12-15(11-29-30)13-2-6-20-17(8-13)22-14(10-28-20)3-7-21(32)31(22)16-4-5-19(24)18(9-16)23(25,26)27/h2-12H,1H3
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| InChIKey |
ZMZBHJVQMHCCEZ-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