COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295340
Chemical Name: 4-[({(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}carbamoyl)amino]-3-methoxyphenylthiocyanate
Smiles: N#CSc1ccc(c(c1)OC)NC(=O)N/C=C/1\C(=NN(C1=O)c1cccc(c1)Cl)C

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Molecular Weight: 441.9
Empirical Formula: C20H16ClN5O3S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.87
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 132
Number of rings: 3

     

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