COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113678
Chemical Name: 2-[(3-{(E)-[1-(2,5-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Smiles: N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C

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Molecular Weight: 490.59
Empirical Formula: C29H22N4O2S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 5.641
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 110
Number of rings: 5

     

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