COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053925
Chemical Name: 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: Cc1ccc(cc1)n1nc(c2c1N=C(O)CSC2c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 394.45
Empirical Formula: C20H18N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.782
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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