COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550196
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({(2S)-3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CC[C@H]([C@@H](C(=O)N1CCN(CC1)c1cc(C)c2c(n1)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 707.87
Empirical Formula: C41H49N5O6

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 4.515
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 122
Number of rings: 6

     

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