COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK605474
Chemical Name: N-[(2Z)-5-{(E)-2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-cyanoethenyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])/c1n[nH]/c(=N/C(=O)c2ccccc2)/s1

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Molecular Weight: 522.34
Empirical Formula: C22H12BrN5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.879
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 161
Number of rings: 4

     

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