General Information of the Compound
| Compound ID |
CP0282348
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| Compound Name |
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-[4-morpholin-4-yl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C29H34N8O5
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| Molecular Weight |
574.642
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC3COC3)nc(n2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C29H34N8O5/c1-35-10-12-36(13-11-35)26(38)21-4-8-23(9-5-21)31-28(39)30-22-6-2-20(3-7-22)25-32-27(37-14-16-40-17-15-37)34-29(33-25)42-24-18-41-19-24/h2-9,24H,10-19H2,1H3,(H2,30,31,39)
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| InChIKey |
GWUBKHKZPMKGGQ-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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform