General Information of the Compound
| Compound ID |
CP0079284
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| Compound Name |
5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
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| Structure |
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| Formula |
C19H21N7O
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| Molecular Weight |
363.425
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| Canonical SMILES |
Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1
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| InChI |
InChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27)
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| InChIKey |
ODYHYESAEXHYRB-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 = 566 nM
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