Compound Summary
CGS-21680 hydrochloride
Compound Information
CGS-21680 hydrochloride
Compound Name: | CGS-21680 hydrochloride |
Compound CID: | 11957501 |
Synonyms: | CGS-21680 hydrochloride 3-4-2-6-amino-9-(2R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-ylpurin-2-ylaminoethylphenylpropanoic acid;hydrochloride EU-0100323 CCG-221627 LP00323 More... |
Iupac Name: | 3-[4-[2-[[6-amino-9-[(2R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride |
InChI: | InChI=1S/C23H29N7O6.ClH/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32;/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29);1H/t16-,17?,18+,22-;/m1./s1 |
InChIKey: | QPHVMNOEKKJYJO-MAZPFQPRSA-N |
Canonical Smiles: | CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O.Cl |
Isomeric Smiles: | CCNC(=O)[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O.Cl |
Molecular Weight: | 536 |
Molecular Formula: | C23H30ClN7O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CGS-21680 hydrochloride
Molecular Weight: | 536 |
Molecular Formula: | C23H30ClN7O6 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 11 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 37 |
Complexity: | 755 |
Synonyms
CGS-21680 hydrochloride
| CGS-21680 hydrochloride | CGS-21680 hydrochloride |
|---|---|
CGS-21680 hydrochloride |
3-4-2-6-amino-9-(2R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-ylpurin-2-ylaminoethylphenylpropanoic acid;hydrochloride |
EU-0100323 |
CCG-221627 |
LP00323 |
C-141 |
SR-01000075204 |
SR-01000075204-1 |
Experimental Data
CGS-21680 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 | -3.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
CGS-21680 hydrochloride
Statistics Data
CGS-21680 hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3.000000000000000 | 1 | 1 |
Statistics Data Visualization
CGS-21680 hydrochloride
