COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL009898
Chemical Name: 2-{[(4-{[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}hexanedioate
Smiles: O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)[O-])CCCC(=O)[O-])CNc2c1c(=O)[nH]c(n2)N

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Saltdata: Ca2+
Molecular Weight: 485.46
Empirical Formula: C21H23N7O7

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: -2.296
Rotatable bonds: 6
H-donors: 6
H-acceptors: 7
PSA: 221
Number of rings: 3

     

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