General Information of the Compound
| Compound ID |
CP0576035
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| Compound Name |
8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)pyrido[4,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C23H18BrF3N4O2
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| Molecular Weight |
519.321
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| Canonical SMILES |
COc1ccc(cc1)-n1cc2cnc(NCCC(F)(F)F)nc2c(-c2ccc(Br)cc2)c1=O
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| InChI |
InChI=1S/C23H18BrF3N4O2/c1-33-18-8-6-17(7-9-18)31-13-15-12-29-22(28-11-10-23(25,26)27)30-20(15)19(21(31)32)14-2-4-16(24)5-3-14/h2-9,12-13H,10-11H2,1H3,(H,28,30)
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| InChIKey |
PVDJUQDMQKLLKG-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