COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826919
Chemical Name: 4-(4-fluorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)OC)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C

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Molecular Weight: 476.57
Empirical Formula: C27H25FN2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.964
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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