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1N3
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NAMES
  • 1N3
SMILES
COc1ccc(-c2nc3c(NCCCNC(=O)C4(CN)CC4)c(Br)cnc3[nH]2)cc1
InChI
InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)
MOLECULAR FORMULA
C21H25BrN6O2
CROSS REFERENCES
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1N3

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 472.12
AlogP 3.05
HBond donors 5
HBond acceptors 8
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 1N3.