can
SAR
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canSAR1846931
FEATURES
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NAMES
SMILES
COc1ccc2nc(CC(C)(C)CC(=O)O)c[n+]([O-])c2c1
InChI
InChI=1S/C15H18N2O4/c1-15(2,8-14(18)19)7-10-9-17(20)13-6-11(21-3)4-5-12(13)16-10/h4-6,9H,7-8H2,1-3H3,(H,18,19)
MOLECULAR FORMULA
C15H18N2O4
CROSS REFERENCES
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canSAR1846931
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
290.13
AlogP
1.92
HBond donors
1
HBond acceptors
6
Atoms
39
Contains toxicophore
No
Contains PAINS
No
Commercially available
Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by canSAR1846931.