COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550490
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]isoleucinamide
Smiles: CCC(C(C(=O)Nc1n[nH]c(n1)COc1ccccc1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 670.77
Empirical Formula: C36H42N6O7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.22
Rotatable bonds: 10
H-donors: 4
H-acceptors: 7
PSA: 165
Number of rings: 5

     

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