COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025984
Chemical Name: 3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2Cl)Cl)nc(c2c1CCCC2)c1cccs1

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Molecular Weight: 459.42
Empirical Formula: C22H16Cl2N2OS2

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 7.166
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 107
Number of rings: 4

     

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