COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052921
Chemical Name: 4-(4-methylphenyl)-1-(pentan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: CCCC(n1nc(c2c1N=C(O)CSC2c1ccc(cc1)C)O)C

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Molecular Weight: 345.47
Empirical Formula: C18H23N3O2S

Physical State: Dry powder
Available Amount: 13 mg

Lipinsky:
logP: 3.518
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 95
Number of rings: 3

     

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