COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472696
Chemical Name: methyl2-({(2E)-2-cyano-3-[1-(2,4-dichlorobenzyl)-1H-pyrrol-2-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cccn1Cc1ccc(cc1Cl)Cl)/C(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 460.34
Empirical Formula: C21H15Cl2N3O3S

Physical State: Dry powder
Available Amount: 416 mg

Lipinsky:
logP: 6.501
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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