COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550660
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)NCCc1onc(n1)c1ccc(c(c1)OC)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 729.83
Empirical Formula: C39H47N5O9

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.204
Rotatable bonds: 12
H-donors: 3
H-acceptors: 9
PSA: 172
Number of rings: 5

     

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