COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052888
Chemical Name: N-[(2Z)-5-{(E)-1-cyano-2-[5-nitro-2-(2-phenoxyethoxy)phenyl]ethenyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: N#C/C(=C\c1cc(ccc1OCCOc1ccccc1)[N+](=O)[O-])/c1n[nH]/c(=N/C(=O)c2ccccc2)/s1

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Molecular Weight: 513.53
Empirical Formula: C26H19N5O5S

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 5.228
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 167
Number of rings: 4

     

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