General Information of the Compound
| Compound ID |
CP0952804
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| Compound Name |
2-((S)-3-(5-(aminomethyl)-6-oxo-1,6-dihydropyridin-3-yl)-4,4-difluoropiperidin-1-yl)-N-(5-phenoxypyridin-2-yl)propanamide
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| Structure |
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| Formula |
C25H27F2N5O3
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| Molecular Weight |
483.519
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| Canonical SMILES |
CC(C(=O)Nc1ccc(Oc2ccccc2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(CN)c2)C1
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| InChI |
InChI=1S/C25H27F2N5O3/c1-16(23(33)31-22-8-7-20(14-29-22)35-19-5-3-2-4-6-19)32-10-9-25(26,27)21(15-32)18-11-17(12-28)24(34)30-13-18/h2-8,11,13-14,16,21H,9-10,12,15,28H2,1H3,(H,30,34)(H,29,31,33)/t16?,21-/m1/s1
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| InChIKey |
XCBDHDDHNHUKQZ-CAWMZFRYSA-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