Acyline

Base Information

• Chemical Name: Acyline
• CAS No.: 170157-13-8
• Molecular Formula: C80H102 Cl N15 O14
• Molecular Weight: 1533.211
• UNII: S3439D3B35
• ChEMBL ID: CHEMBL262747
• Metabolomics Workbench ID: 152987
• Pharos Ligand ID: VZBLWPSGNTKV
• Wikidata: Q27288520
• Wikipedia: Acyline
• Mol file: 170157-13-8.mol

Synonyms:acyline

Chemical Property of Acyline

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 12.78±0.46(Predicted)
• Flash Point: °C
• PSA: 428.65000
• Density: 1.307g/cm³
• LogP: 8.09750
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 40
• Exact Mass: 1531.7419207
• Heavy Atom Count: 110
• Complexity: 3050

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)C)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C)NC(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C
• Isomeric SMILES: C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)C)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C
• Recent ClinicalTrials: Cardiovascular Outcomes of Low Testosterone