can
SAR
Black
canSAR2080555
FEATURES
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NAMES
SMILES
CC(C)(C)C1=CC(=O)C=C(NCCc2ccccc2)C1=O
InChI
InChI=1S/C18H21NO2/c1-18(2,3)15-11-14(20)12-16(17(15)21)19-10-9-13-7-5-4-6-8-13/h4-8,11-12,19H,9-10H2,1-3H3
MOLECULAR FORMULA
C18H21NO2
CROSS REFERENCES
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canSAR2080555
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
283.16
AlogP
2.83
HBond donors
1
HBond acceptors
3
Atoms
42
Contains toxicophore
Yes
Contains PAINS
Yes
Commercially available
Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by canSAR2080555.