General Information of the Compound
| Compound ID |
CP0116954
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| Compound Name |
1-[4-[5-[5-amino-6-(benzotriazol-1-yl)pyrazin-2-yl]-2-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
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| Structure |
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| Formula |
C22H27N11O
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| Molecular Weight |
461.534
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| Canonical SMILES |
CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12
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| InChI |
InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24)
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| InChIKey |
DYSXVZYXONDGJF-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