COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK372716
Chemical Name: (2E)-1-{[(5Z)-3,4-dihydro-1-benzothiepin-5(2H)-ylideneamino]oxy}-3-phenylprop-2-en-1-one
Smiles: O=C(O/N=C\1/CCCSc2c1cccc2)/C=C/c1ccccc1

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Molecular Weight: 323.42
Empirical Formula: C19H17NO2S

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 5.332
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 63
Number of rings: 3

     

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