COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177248
Chemical Name: 3,6-diamino-N-[(6Z)-3-(2-amino-6-hydroxy-1,4,5,6-tetrahydropyrimidin-4-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanam
Smiles: NCCCC(CC(=O)NC1CNC(=O)C(NC(=O)/C(=C/NC(=O)N)/NC(=O)C(NC(=O)C(NC1=O)CO)CO)C1CC(O)NC(=N1)N)N

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Molecular Weight: 685.7
Empirical Formula: C25H43N13O10

Physical State: Dry powder
Available Amount: 618 mg

Lipinsky:
logP: -10.98
Rotatable bonds: 12
H-donors: 19
H-acceptors: 10
PSA: 392
Number of rings: 2

     

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