General Information of the Compound
| Compound ID |
CP0568876
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| Compound Name |
1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile
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| Formula |
C25H29FN8O
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| Molecular Weight |
476.56
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| Canonical SMILES |
CC(C)c1cnc(N2CC(C2)C#N)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12
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| InChI |
InChI=1S/C25H29FN8O/c1-15(2)18-10-30-23(34-12-16(9-27)13-34)19-11-29-22(8-17(18)19)31-21-4-6-28-24(32-21)33-7-5-20(35)25(3,26)14-33/h4,6,8,10-11,15-16,20,35H,5,7,12-14H2,1-3H3,(H,28,29,31,32)/t20-,25+/m1/s1
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| InChIKey |
AOHNZGASXYBKDI-NLFFAJNJSA-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