General Information of the Compound
| Compound ID |
CP0241717
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| Compound Name |
1-[(3S)-3-[[6-(6-methoxypyridin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C20H25N5O3
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| Molecular Weight |
383.452
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1
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| InChI |
InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
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| InChIKey |
SAUGHQPXXQTNJR-HNNXBMFYSA-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