COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL250557
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxo-2-{[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}butanoicacid
Smiles: O=C(CC(C(=O)O)CN1CCCN(CC1)c1ncccn1)Nc1ccc2c(c1)OCCO2

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Molecular Weight: 441.49
Empirical Formula: C22H27N5O5

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.692
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 117
Number of rings: 4

     

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