COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545834
Chemical Name: (3S)-2-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CNC(=O)[C@@H]1Cc2cc(OC)c(cc2CN1C(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)OC

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Molecular Weight: 730.86
Empirical Formula: C40H50N4O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.766
Rotatable bonds: 11
H-donors: 3
H-acceptors: 9
PSA: 153
Number of rings: 5

     

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