COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL024441
Chemical Name: 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2cc3OCOc3cc2Cl)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 509.03
Empirical Formula: C27H25ClN2O4S

Available Amount: 0 mg

Lipinsky:
logP: 5.365
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 5

     

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