General Information of the Compound
| Compound ID |
CP0002607
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| Compound Name |
2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
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| Synonyms |
CGP 74514A
CGP-74514A
CGP74514A
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| Structure |
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| Formula |
C19H24ClN7
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| Molecular Weight |
385.903
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| Canonical SMILES |
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
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| InChI |
InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1
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| InChIKey |
UTBSBSOBZHXMHI-LSDHHAIUSA-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: PT01030, Dual specificity protein kinase CLK1
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000075 | EoL-1 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 990 nM
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| CL000380 | HCC827 | Homo sapiens (Human) | 1 |
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GI50 = 12200 nM
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LO
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Clinical Information about the Compound