COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528504
Chemical Name: 3-(1,3-benzoxazol-2-yl)-2-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-2H-chromen-7-olate
Smiles: O=c1oc2c(cc1c1nc3c(o1)cccc3)ccc(c2C[NH+]1CC2(CC1CC(C2)(C)C)C)[O-]

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Molecular Weight: 444.53
Empirical Formula: C27H28N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.164
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 79
Number of rings: 6

     

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