12XH8Ekl2A

Base Information

• Chemical Name: 12XH8Ekl2A
• CAS No.: 820244-38-0
• Molecular Formula: C22H28Cl2FNO5
• UNII: 12XH8EKL2A
• ChEMBL ID: CHEMBL4594408

Synonyms:BCI-838;bicyclo (3.1.0) hexane-2,6-dicarboxylic acid, 2-amino-3-((3,4-dichlorophenyl)metoxy)-6-fluoro-,6-heptyl ester,(IR,2R,3R, 5R6R)-);MGS0210

Chemical Property of 12XH8Ekl2A

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 475.1328565
• Heavy Atom Count: 31
• Complexity: 670

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Useful:

• Canonical SMILES: CCCCCCCOC(=O)C1(C2C1C(C(C2)OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N)F
• Isomeric SMILES: CCCCCCCOC(=O)[C@]1([C@H]2[C@@H]1[C@@]([C@@H](C2)OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N)F
• Recent ClinicalTrials: A Multiple Ascending Dose Study of BCI-838 in Healthy Volunteers

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