COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409525
Chemical Name: 4-(2-chloro-5-nitrophenyl)-7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)c1cc(ccc1Cl)[N+](=O)[O-])C1CCSCC1

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Molecular Weight: 440.93
Empirical Formula: C17H17ClN4O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.336
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 161
Number of rings: 4

     

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