COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK630970
Chemical Name: 3-amino-2-(3-hydroxypropyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Smiles: OCCCn1c(N)c(C#N)c2c(c1=S)CCCC2

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Molecular Weight: 263.36
Empirical Formula: C13H17N3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.307
Rotatable bonds: 4
H-donors: 3
H-acceptors: 1
PSA: 105
Number of rings: 2

     

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