COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL241394
Chemical Name: 3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1cc(cc(c1OC)OC)C1SCC(=O)Nc2c1c(C)nn2c1ccccc1

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Molecular Weight: 425.51
Empirical Formula: C22H23N3O4S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.924
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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