COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669553
Chemical Name: (8R,8aS)-6-amino-8-(4-chlorophenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCSC2)c1ccc(cc1)Cl)(C#N)C#N

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Molecular Weight: 352.85
Empirical Formula: C18H13ClN4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.589
Rotatable bonds: 0
H-donors: 2
H-acceptors: 0
PSA: 122
Number of rings: 3

     

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