COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544185
Chemical Name: (E)-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-L-valinamide
Smiles: COCc1n[nH]/c(=N\C(=O)[C@H](C(C)C)Nc2ccc3c(cc2=O)[C@H](CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/s1

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Molecular Weight: 611.72
Empirical Formula: C30H37N5O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.298
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 174
Number of rings: 4

     

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