COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550980
Chemical Name: (E)-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]-L-methioninamide
Smiles: CSCC[C@@H](C(=O)/N=c\1/scc([nH]1)c1c[nH]c2c1ccc(c2)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 743.91
Empirical Formula: C38H41N5O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.762
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 202
Number of rings: 6

     

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