COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120194
Chemical Name: N-{[4-hydroxy-1-(methylsulfanyl)-4-(prop-2-en-1-yl)hept-6-en-3-yl]carbamothioyl}-3-nitrobenzamide
Smiles: CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 423.56
Empirical Formula: C19H25N3O4S2

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 4.111
Rotatable bonds: 11
H-donors: 3
H-acceptors: 4
PSA: 164
Number of rings: 1

     

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