General Information of the Compound
| Compound ID |
CP0341848
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| Compound Name |
N-[2-(dimethylamino)ethyl]-4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methylbenzamide
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| Structure |
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| Formula |
C27H34N8O4
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| Molecular Weight |
534.621
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| Canonical SMILES |
COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)CCN(C)C)cc1)N1CCOCC1
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| InChI |
InChI=1S/C27H34N8O4/c1-33(2)13-14-34(3)24(36)20-7-11-22(12-8-20)29-26(37)28-21-9-5-19(6-10-21)23-30-25(32-27(31-23)38-4)35-15-17-39-18-16-35/h5-12H,13-18H2,1-4H3,(H2,28,29,37)
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| InChIKey |
DHEJWIJAJGWEQX-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