General Information of the Compound
| Compound ID |
CP0072499
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| Compound Name |
1-[4-[4-[5-amino-6-(benzotriazol-1-yl)pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
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| Structure |
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| Formula |
C22H26N10O
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| Molecular Weight |
446.519
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| Canonical SMILES |
CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12
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| InChI |
InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24)
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| InChIKey |
VUJHDNKSYDQSOA-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