can
SAR
Black
canSAR2079712
FEATURES
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NAMES
SMILES
CCNc1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1
InChI
InChI=1S/C28H28N6O/c1-5-29-28-30-14-23(15-31-28)21-8-6-7-20(11-21)18(3)32-27-13-25(33-19(4)34-27)22-9-10-26-24(12-22)17(2)16-35-26/h6-16,18H,5H2,1-4H3,(H,29,30,31)(H,32,33,34)/t18-/m0/s1
MOLECULAR FORMULA
C28H28N6O
CROSS REFERENCES
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canSAR2079712
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
464.23
AlogP
6.57
HBond donors
2
HBond acceptors
7
Atoms
63
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 canSAR2079712.