COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK217603
Chemical Name: 6-(2-chloro-5-nitrophenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
Smiles: Clc1ccc(cc1C1Sc2ccccc2NC2=C1C(=O)c1c2cccc1)[N+](=O)[O-]

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Molecular Weight: 420.88
Empirical Formula: C22H13ClN2O3S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 5.818
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 5

     

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