COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455691
Chemical Name: 1-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-3-(2-methoxy-4-nitrophenyl)thiourea
Smiles: COc1cc(ccc1NC(=S)Nc1cccc(c1)Cn1ncc(c1)Cl)[N+](=O)[O-]

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Molecular Weight: 417.88
Empirical Formula: C18H16ClN5O3S

Physical State: Dry powder
Available Amount: 454 mg

Lipinsky:
logP: 3.506
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 129
Number of rings: 3

     

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