COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542230
Chemical Name: 4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COCc1cc(cc(c1OC)OC)C1SCC(=O)Nc2c1c(nn2c1ccccc1)c1ccccc1

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Molecular Weight: 501.61
Empirical Formula: C28H27N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.658
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 5

     

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