General Information of the Compound
| Compound ID |
CP0521650
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| Compound Name |
methyl 4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzoate
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| Structure |
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| Formula |
C36H22F3N3O3
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| Molecular Weight |
601.584
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C36H22F3N3O3/c1-45-35(44)22-8-6-21(7-9-22)28-13-12-27(18-30(28)36(37,38)39)42-33(43)15-11-25-19-41-32-14-10-23(17-29(32)34(25)42)26-16-24-4-2-3-5-31(24)40-20-26/h2-20H,1H3
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| InChIKey |
CFIPMCWYVCVQMA-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