COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147424
Chemical Name: 4-(3,4-dimethoxyphenyl)-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)CSC2c1ccc(c(c1)OC)OC)CC

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Molecular Weight: 391.49
Empirical Formula: C19H25N3O4S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 3.544
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 108
Number of rings: 3

     

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