COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036122
Chemical Name: 3-{2-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-1H-pyrrol-1-yl}benzoicacid
Smiles: N#C/C(=C\c1cccn1c1cccc(c1)C(=O)O)/C(=O)NCc1ccccc1

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Molecular Weight: 371.4
Empirical Formula: C22H17N3O3

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 3.636
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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