COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233828
Chemical Name: 6-(6-nitro-1,3-benzodioxol-5-yl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
Smiles: O=C1c2ccccc2C2=C1C(Sc1c(N2)cccc1)c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 430.44
Empirical Formula: C23H14N2O5S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 5.437
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 118
Number of rings: 6

     

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