COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183205
Chemical Name: ethyl2-(3-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(/C(=O)NCc1ccco1)\C#N

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Molecular Weight: 477.58
Empirical Formula: C26H27N3O4S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 5.878
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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