General Information of the Compound
| Compound ID |
CP0303297
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| Compound Name |
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-yl-6-oxo-1H-1,3,5-triazin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C26H30N8O4
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| Molecular Weight |
518.578
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc([nH]c(=O)n2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C26H30N8O4/c1-32-10-12-33(13-11-32)23(35)19-4-8-21(9-5-19)28-25(36)27-20-6-2-18(3-7-20)22-29-24(31-26(37)30-22)34-14-16-38-17-15-34/h2-9H,10-17H2,1H3,(H2,27,28,36)(H,29,30,31,37)
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| InChIKey |
FMXJLJWHHSYGHH-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