General Information of the Compound
| Compound ID |
CP0016012
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| Compound Name |
4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-N,N-dimethylpyrazole-1-sulfonamide
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| Structure |
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| Formula |
C21H23N9O2S
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| Molecular Weight |
465.543
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| Canonical SMILES |
CN(C)S(=O)(=O)n1cc(cn1)-c1nc(cnc1N)-c1nc(n(C)n1)C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H23N9O2S/c1-28(2)33(31,32)30-13-14(11-24-30)17-18(22)23-12-16(25-17)19-26-20(29(3)27-19)21(9-10-21)15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23)
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| InChIKey |
GMLLOWVABPADNX-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: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT03071, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform