General Information of the Compound
| Compound ID |
CP0249954
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| Compound Name |
1-[4-[3-[6-(6-methoxypyridin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenoxy]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
COc1ccc(cn1)N1CCc2ncnc(-c3cccc(OC4CCN(CC4)C(C)=O)c3)c2C1
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| InChI |
InChI=1S/C26H29N5O3/c1-18(32)30-11-8-21(9-12-30)34-22-5-3-4-19(14-22)26-23-16-31(13-10-24(23)28-17-29-26)20-6-7-25(33-2)27-15-20/h3-7,14-15,17,21H,8-13,16H2,1-2H3
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| InChIKey |
ZXFIIJCCESEKPZ-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform