General Information of the Compound
| Compound ID |
CP0231518
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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]benzamide
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| Structure |
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| Formula |
C26H32N8O4
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| Molecular Weight |
520.594
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| Canonical SMILES |
COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1
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| InChI |
InChI=1S/C26H32N8O4/c1-33(2)13-12-27-23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11H,12-17H2,1-3H3,(H,27,35)(H2,28,29,36)
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| InChIKey |
MPVZERIWUAYICQ-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 71 nM
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TI
LI
LO
TS
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