COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK342421
Chemical Name: ethyl2-({(2E)-3-[3-(3,5-dinitrophenoxy)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)Oc2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 537.55
Empirical Formula: C26H23N3O8S

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 9.568
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 184
Number of rings: 4

     

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