COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL319968
Chemical Name: 4-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1ccc3c(c1)n(C)c(=O)n3C)c(=O)[nH]n2C(C)C

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Molecular Weight: 387.46
Empirical Formula: C18H21N5O3S

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 1.986
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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