COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150786
Chemical Name: 4-(1,3-benzodioxol-5-yl)-7-hydroxy-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc2c(c1)OCO2)CC

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Molecular Weight: 375.45
Empirical Formula: C18H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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