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AEROPHOBIN 2
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NAMES
  • Aerophobin 2
SMILES
COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCc1cnc(N)[nH]1)=NO2
InChI
InChI=1S/C16H19Br2N5O4/c1-26-12-9(17)5-16(13(24)11(12)18)6-10(23-27-16)14(25)20-4-2-3-8-7-21-15(19)22-8/h5,7,13,24H,2-4,6H2,1H3,(H,20,25)(H3,19,21,22)/t13-,16+/m0/s1
MOLECULAR FORMULA
C16H19Br2N5O4
CROSS REFERENCES
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AEROPHOBIN 2

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 502.98
AlogP 1.46
HBond donors 5
HBond acceptors 9
Atoms 46
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 AEROPHOBIN 2.