can
SAR
Black
canSAR2095976
FEATURES
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NAMES
SMILES
COCCCNc1nc(NC(=O)c2cc(OC)cc(OC)c2)cc(-c2cccnc2)n1
InChI
InChI=1S/C22H25N5O4/c1-29-9-5-8-24-22-25-19(15-6-4-7-23-14-15)13-20(27-22)26-21(28)16-10-17(30-2)12-18(11-16)31-3/h4,6-7,10-14H,5,8-9H2,1-3H3,(H2,24,25,26,27,28)
MOLECULAR FORMULA
C22H25N5O4
CROSS REFERENCES
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canSAR2095976
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
423.19
AlogP
3.26
HBond donors
2
HBond acceptors
9
Atoms
56
Contains toxicophore
No
Contains PAINS
No
Commercially available
Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by canSAR2095976.