COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001948
Chemical Name: 2-{2-[(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: COc1cc(CC/N=C\c2cccn2c2sc3c(c2C#N)CCCC3)ccc1OC

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Molecular Weight: 419.55
Empirical Formula: C24H25N3O2S

Physical State: Dry powder
Available Amount: 1624 mg

Lipinsky:
logP: 4.661
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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