General Information of the Compound
| Compound ID |
CP0534714
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| Compound Name |
[4-[7-(3-hydroxy-3-methylpyrrolidin-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 |
C25H26F3N5O3
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| Molecular Weight |
501.509
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| Canonical SMILES |
CC1(O)CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H26F3N5O3/c1-24(35)8-11-33(14-24)18-12-20-22(29-13-18)21(31-15-30-20)16-6-9-32(10-7-16)23(34)17-2-4-19(5-3-17)36-25(26,27)28/h2-5,12-13,15-16,35H,6-11,14H2,1H3
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| InChIKey |
OFHDGXMKRRHYRS-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