can
SAR
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canSAR2096488
FEATURES
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NAMES
SMILES
COc1ccc(C(=O)CCC(=O)NNC(=O)Cn2c(C)nc3ccccc32)cc1
InChI
InChI=1S/C21H22N4O4/c1-14-22-17-5-3-4-6-18(17)25(14)13-21(28)24-23-20(27)12-11-19(26)15-7-9-16(29-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,23,27)(H,24,28)
MOLECULAR FORMULA
C21H22N4O4
CROSS REFERENCES
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canSAR2096488
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
394.16
AlogP
2.16
HBond donors
2
HBond acceptors
8
Atoms
51
Contains toxicophore
Yes
Contains PAINS
No
Commercially available
Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by canSAR2096488.