COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483734
Chemical Name: 10-(4-aminobutyl)-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxam
Smiles: NCCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)N)Cc1c[nH]c2c1cccc2

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Saltdata: CH3COOH
Molecular Weight: 1019.26
Empirical Formula: C49H66N10O10S2

Available Amount: 0 mg

Lipinsky:
logP: 0.77
Rotatable bonds: 18
H-donors: 15
H-acceptors: 10
PSA: 382
Number of rings: 5

     

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