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28G
FEATURES
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NAMES
  • 28G
SMILES
C=CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCN3CCOCC3)nc2s1
InChI
InChI=1S/C21H24N6O3S/c1-2-5-23-20(28)26-21-24-17-13-16(15-4-3-6-22-14-15)18(25-19(17)31-21)30-12-9-27-7-10-29-11-8-27/h2-4,6,13-14H,1,5,7-12H2,(H2,23,24,26,28)
MOLECULAR FORMULA
C21H24N6O3S
CROSS REFERENCES
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28G

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 440.16
AlogP 2.77
HBond donors 2
HBond acceptors 9
Atoms 55
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 28G.