COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544370
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]-L-alaninamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2cccc(c2)c2n[nH]cn2)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 598.66
Empirical Formula: C32H34N6O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.158
Rotatable bonds: 6
H-donors: 4
H-acceptors: 6
PSA: 156
Number of rings: 5

     

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