COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001846
Chemical Name: 2-{2-[(prop-2-en-1-ylamino)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: C=CCNCc1cccn1c1sc2c(c1C#N)CCCC2

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Saltdata: C2H2O4
Molecular Weight: 297.42
Empirical Formula: C17H19N3S

Physical State: Dry powder
Available Amount: 1871 mg

Lipinsky:
logP: 3.722
Rotatable bonds: 4
H-donors: 1
H-acceptors: 0
PSA: 68
Number of rings: 3

     

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