COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529005
Chemical Name: 5-{[amino(iminio)methyl]amino}-2-({N-[(4-methylphenyl)sulfonyl]alanyl}amino)pentanoate
Smiles: O=C(C(NS(=O)(=O)c1ccc(cc1)C)C)NC(C(=O)[O-])CCCNC(=[NH2+])N

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Saltdata: 2 H2O
Molecular Weight: 399.47
Empirical Formula: C16H25N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.169
Rotatable bonds: 7
H-donors: 7
H-acceptors: 5
PSA: 187
Number of rings: 1

     

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