COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027397
Chemical Name: 3-(2-{(1E)-2-cyano-3-[(2,4-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrol-1-yl)benzoicacid
Smiles: N#C/C(=C\c1cccn1c1cccc(c1)C(=O)O)/C(=O)Nc1ccc(cc1Cl)Cl

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Molecular Weight: 426.26
Empirical Formula: C21H13Cl2N3O3

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 5.433
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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