COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK469994
Chemical Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Smiles: COc1cc(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)ccc1OC

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Molecular Weight: 477.65
Empirical Formula: C23H31N3O4S2

Physical State: Dry powder
Available Amount: 377 mg

Lipinsky:
logP: 4.219
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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