COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK730951
Chemical Name: 4-[(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: O=C1C=C(C2(O1)CCCCC2)NCCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 413.4
Empirical Formula: C19H22F3N3O4

Available Amount: 0 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 96
Number of rings: 3

     

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