COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK934476
Chemical Name: 4-(2-chloro-5-nitrophenyl)-3-methyl-1-phenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1cc(ccc1Cl)[N+](=O)[O-])c(nn2c1ccccc1)C

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Molecular Weight: 414.87
Empirical Formula: C19H15ClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.973
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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