COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK105877
Chemical Name: methyl4-(3-{(1E)-2-cyano-3-oxo-3-[(thiophen-2-ylmethyl)amino]prop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)/C(=O)NCc1cccs1

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Molecular Weight: 419.5
Empirical Formula: C23H21N3O3S

Physical State: Dry powder
Available Amount: 352 mg

Lipinsky:
logP: 4.535
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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