COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546841
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)Nc1n(C)nc2c1CSC2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 635.78
Empirical Formula: C33H41N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.185
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 158
Number of rings: 5

     

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