General Information of the Compound
| Compound ID |
CP0125424
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| Compound Name |
1-[4-[5-[5-amino-6-(benzotriazol-1-yl)pyrazin-2-yl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
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| Structure |
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| Formula |
C23H28N10O
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| Molecular Weight |
460.546
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| Canonical SMILES |
CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1
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| InChI |
InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25)
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| InChIKey |
GDCXQTWGESMOSP-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