COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531543
Chemical Name: N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-alanyl-D-tryptophylglycyl-D-isoleucine
Smiles: CC[C@@H]([C@H](C(=O)O)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)C)C

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Molecular Weight: 727.81
Empirical Formula: C39H45N5O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.56
Rotatable bonds: 14
H-donors: 6
H-acceptors: 9
PSA: 208
Number of rings: 5

     

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