General Information of the Compound
| Compound ID |
CP0465088
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| Compound Name |
1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
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| Structure |
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| Formula |
C35H22F3N3O2
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| Molecular Weight |
573.574
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| Canonical SMILES |
OCc1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C35H22F3N3O2/c36-35(37,38)30-17-27(11-12-28(30)22-7-5-21(20-42)6-8-22)41-33(43)14-10-25-18-40-32-13-9-23(16-29(32)34(25)41)26-15-24-3-1-2-4-31(24)39-19-26/h1-19,42H,20H2
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| InChIKey |
HTEIPKYOUOIYFF-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