General Information of the Compound
| Compound ID |
CP0079286
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| Compound Name |
3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
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| Structure |
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| Formula |
C19H19N7O2
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| Molecular Weight |
377.408
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| Canonical SMILES |
O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1
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| InChI |
InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25)
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| InChIKey |
NHRWVYXOCMJUIS-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: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1370 nM
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TI
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LO
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