COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL494322
Chemical Name: 4-(2-methoxyphenyl)-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Smiles: CCC(n1[nH]c(=O)c2c1NC(=O)CSC2c1ccccc1OC)CC

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Molecular Weight: 361.47
Empirical Formula: C18H23N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.182
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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