General Information of the Compound
| Compound ID |
CP0160611
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| Compound Name |
3-[(2,3-dichlorophenyl)methyl]-2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C17H17Cl2N5O2
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| Molecular Weight |
394.262
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| Canonical SMILES |
Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C17H17Cl2N5O2/c1-11-21-24-15(25)9-14(22-5-7-26-8-6-22)20-17(24)23(11)10-12-3-2-4-13(18)16(12)19/h2-4,9H,5-8,10H2,1H3
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| InChIKey |
JERUPDZCEQJOGZ-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: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000196 | MDA-MB-468 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 170 nM
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