COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL429940
Chemical Name: 2-{[(4-{[(2-amino-5-formyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydropteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}pentanedioate
Smiles: O=CN1C(CNC2C1C(=O)N=C(N2)N)CNc1ccc(cc1)C(=O)NC(C(=O)[O-])CCC(=O)[O-]

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Saltdata: Ca2+
Molecular Weight: 473.45
Empirical Formula: C20H23N7O7

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: -3.165
Rotatable bonds: 5
H-donors: 6
H-acceptors: 7
PSA: 221
Number of rings: 3

     

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