General Information of the Compound
| Compound ID |
CP0436112
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| Compound Name |
4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzoic acid
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| Structure |
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| Formula |
C35H20F3N3O3
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| Molecular Weight |
587.557
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C35H20F3N3O3/c36-35(37,38)29-17-26(11-12-27(29)20-5-7-21(8-6-20)34(43)44)41-32(42)14-10-24-18-40-31-13-9-22(16-28(31)33(24)41)25-15-23-3-1-2-4-30(23)39-19-25/h1-19H,(H,43,44)
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| InChIKey |
AUCRNEIQZOBVDA-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