COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148770
Chemical Name: N-[(4-{3-[(furan-2-ylmethyl)amino]-4-nitrophenyl}piperazin-1-yl)carbonothioyl]thiophene-2-carboxamide
Smiles: S=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[N+](=O)[O-])NC(=O)c1cccs1

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Molecular Weight: 471.56
Empirical Formula: C21H21N5O4S2

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 3.578
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 166
Number of rings: 4

     

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