General Information of the Compound
| Compound ID |
CP0575467
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| Compound Name |
[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
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| Structure |
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| Formula |
C25H27F3N6O2
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| Molecular Weight |
500.525
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| Canonical SMILES |
CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H27F3N6O2/c1-32-10-12-33(13-11-32)19-14-21-23(29-15-19)22(31-16-30-21)17-6-8-34(9-7-17)24(35)18-2-4-20(5-3-18)36-25(26,27)28/h2-5,14-17H,6-13H2,1H3
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| InChIKey |
MJXVHOIPPRPXEC-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