COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK335109
Chemical Name: N-(3-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: S=C(N1CCc2c(C1)cccc2)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 313.38
Empirical Formula: C16H15N3O2S

Physical State: Dry powder
Available Amount: 186 mg

Lipinsky:
logP: 3.315
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 3

     

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