General Information of the Compound
| Compound ID |
CP0452004
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| Compound Name |
1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
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| Structure |
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| Formula |
C40H30F3N3O3
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| Molecular Weight |
657.692
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1-c1ccc(COC2CCCCO2)cc1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C40H30F3N3O3/c41-40(42,43)34-21-31(14-15-32(34)26-10-8-25(9-11-26)24-49-38-7-3-4-18-48-38)46-37(47)17-13-29-22-45-36-16-12-27(20-33(36)39(29)46)30-19-28-5-1-2-6-35(28)44-23-30/h1-2,5-6,8-17,19-23,38H,3-4,7,18,24H2
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| InChIKey |
ZKXJKHOTVJDSIM-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