Metapro

Base Information

• Chemical Name: Metapro
• CAS No.: 431077-35-9
• UNII: NA0Y2SRR29
• DSSTox Substance ID: DTXSID50962902
• Nikkaji Number: J2.093.449B
• Wikidata: Q27095703
• NCI Thesaurus Code: C38129
• Pharos Ligand ID: JWC711XDSV3C
• Metabolomics Workbench ID: 149581
• ChEMBL ID: CHEMBL3527358
• Mol file: 431077-35-9.mol

Synonyms:PPI 2458;PPI-2458;PPI2458

Chemical Property of Metapro

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 424.25733687
• Heavy Atom Count: 30
• Complexity: 706

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)N)NC(=O)OC1CCC2(CO2)C(C1OC)C3(C(O3)CC=C(C)C)C
• Isomeric SMILES: CC(C)[C@H](C(=O)N)NC(=O)O[C@@H]1CC[C@]2(CO2)[C@H]([C@@H]1OC)[C@@]3([C@H](O3)CC=C(C)C)C
• Recent ClinicalTrials: Safety/Tolerance Study of PPI-2458 in Subjects With Non-Hodgkin's Lymphoma and Solid Tumors