COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK181084
Chemical Name: 2-(3-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2

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Molecular Weight: 514.56
Empirical Formula: C27H22N4O5S

Physical State: Dry powder
Available Amount: 519 mg

Lipinsky:
logP: 4.897
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 141
Number of rings: 6

     

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