COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018657
Chemical Name: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1c1cccs1)CC(CC2)C(C)(C)C

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Molecular Weight: 525.53
Empirical Formula: C26H25BrN2OS2

Physical State: Dry powder
Available Amount: 613 mg

Lipinsky:
logP: 8.427
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 107
Number of rings: 4

     

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