COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543421
Chemical Name: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)SCc1s2

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Molecular Weight: 521.52
Empirical Formula: C22H21BrN2O2S3

Physical State: Dry powder
Available Amount: 279 mg

Lipinsky:
logP: 6.22
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 4

     

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