Compound Summary
CGP-74514A hydrochloride
Compound Information
CGP-74514A hydrochloride
Compound Name: | CGP-74514A hydrochloride |
Compound CID: | 11957495 |
Synonyms: | CGP-74514A hydrochloride CGP74514A 481724-82-7 CGP-74514A 481724-82-7 (HCl) More... |
Iupac Name: | 2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine;hydrochloride |
InChI: | InChI=1S/C19H24ClN7.ClH/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);1H/t14-,15+;/m0./s1 |
InChIKey: | GDCXPZPXAWTYJM-LDXVYITESA-N |
Canonical Smiles: | CCN1C=NC2=C(N=C(N=C21)NC3CCCCC3N)NC4=CC(=CC=C4)Cl.Cl |
Isomeric Smiles: | CCN1C=NC2=C(N=C(N=C21)N[C@@H]3CCCC[C@@H]3N)NC4=CC(=CC=C4)Cl.Cl |
Molecular Weight: | 422.4 |
Molecular Formula: | C19H25Cl2N7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CGP-74514A hydrochloride
Molecular Weight: | 422.4 |
Molecular Formula: | C19H25Cl2N7 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 28 |
Complexity: | 481 |
Synonyms
CGP-74514A hydrochloride
| CGP-74514A hydrochloride | CGP-74514A hydrochloride |
|---|---|
CGP-74514A hydrochloride |
CGP74514A |
481724-82-7 |
CGP-74514A |
481724-82-7 (HCl) |
9H-Purine-2,6-diamine, N2-(1R,2S)-2-aminocyclohexyl-N6-(3-chlorophenyl)-9-ethyl-, monohydrochloride, rel- (9CI) |
N2-((1R,2S)-2-aminocyclohexyl)-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine hydrochloride |
CGP 74514A |
EU-0100291 |
SCHEMBL2515986 |
CHEMBL1256911 |
DTXSID401018880 |
DTXSID701017243 |
Tox21_500291 |
CCG-221595 |
LP00291 |
N2-(cis-2-Aminocyclohexyl)-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine hydrochloride |
NCGC00093743-01 |
NCGC00260976-01 |
C 3353 |
SR-01000075754 |
J-003582 |
SR-01000075754-1 |
2-N-(1R,2S)-2-aminocyclohexyl-6-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine;hydrochloride |
9H-Purine-2,6-diamine, N2-((1R,2S)-2-aminocyclohexyl)-N6-(3-chlorophenyl)-9-ethyl-, hydrochloride (1:1), rel- |
N(2)-(2-Aminocyclohexyl)-N(6)-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine, hydrochloride |
N2-(cis-2-Aminocyclohexyl)-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine hydrochloride; Compound 13 |
N2-(1R,2S)-2-Aminocyclohexyl-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine hydrochloride (1:1) |
Experimental Data
CGP-74514A hydrochloride
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -31.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
CGP-74514A hydrochloride
Statistics Data
CGP-74514A hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -31.000000000000000 | 1 | 1 |
Statistics Data Visualization
CGP-74514A hydrochloride
