COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553352
Chemical Name: (2R)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]pentanedioate
Smiles: [O-]C(=O)CCC(C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N

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Saltdata: 2Na+
Molecular Weight: 425.4
Empirical Formula: C20H19N5O6

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: -0.704
Rotatable bonds: 3
H-donors: 5
H-acceptors: 6
PSA: 192
Number of rings: 3

     

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