COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549948
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(6-chloro-2-oxo-2,3-dihydro-1H-indol-5-yl)-1,3-thiazol-2-yl]-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)Nc1scc(n1)c1cc2CC(=O)Nc2cc1Cl)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 746.28
Empirical Formula: C38H40ClN5O7S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 5.296
Rotatable bonds: 7
H-donors: 4
H-acceptors: 7
PSA: 185
Number of rings: 6

     

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