General Information of the Compound
| Compound ID |
CP0555155
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| Compound Name |
[4-[7-[3-(dimethylamino)pyrrolidin-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 |
C26H29F3N6O2
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| Molecular Weight |
514.552
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| Canonical SMILES |
CN(C)C1CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H29F3N6O2/c1-33(2)19-9-12-35(15-19)20-13-22-24(30-14-20)23(32-16-31-22)17-7-10-34(11-8-17)25(36)18-3-5-21(6-4-18)37-26(27,28)29/h3-6,13-14,16-17,19H,7-12,15H2,1-2H3
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| InChIKey |
FOHBSYXUZSPLPA-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