COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK973934
Chemical Name: 3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-1H-isochromene-5-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])cc(c2c1CC(C)(C)OC2)N1CCOCC1

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Molecular Weight: 467.55
Empirical Formula: C24H25N3O5S

Available Amount: 0 mg

Lipinsky:
logP: 3.63
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 133
Number of rings: 4

     

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