COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL241160
Chemical Name: 1-(butan-2-yl)-4-(3,4-dimethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCC(n1nc(c2c1NC(=O)CSC2c1ccc(c(c1)OC)OC)O)C

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Molecular Weight: 377.46
Empirical Formula: C18H23N3O4S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.541
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 3

     

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