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N-Allyl Brucine Iodide
FEATURES
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NAMES
  • N-Allyl Brucine Iodide
SMILES
C=CC[N+]12CC[C@@]34c5cc(OC)c(OC)cc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54
InChI
InChI=1S/C26H31N2O4/c1-4-7-28-8-6-26-17-11-19(30-2)20(31-3)12-18(17)27-23(29)13-21-24(25(26)27)16(10-22(26)28)15(14-28)5-9-32-21/h4-5,11-12,16,21-22,24-25H,1,6-10,13-14H2,2-3H3/q+1/t16-,21-,22-,24-,25-,26+,28?/m0/s1
MOLECULAR FORMULA
C26H31N2O4+
CROSS REFERENCES
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N-Allyl Brucine Iodide

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 435.23
AlogP 2.81
HBond donors 0
HBond acceptors 6
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 N-Allyl Brucine Iodide.