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Elmerrillicine
FEATURES
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NAMES
  • Elmerrillicine
SMILES
COc1c2c3c(c4c1OCO4)-c1c(O)cccc1C[C@H]3NCC2
InChI
InChI=1S/C18H17NO4/c1-21-16-10-5-6-19-11-7-9-3-2-4-12(20)13(9)15(14(10)11)17-18(16)23-8-22-17/h2-4,11,19-20H,5-8H2,1H3/t11-/m1/s1
MOLECULAR FORMULA
C18H17NO4
CROSS REFERENCES
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Elmerrillicine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 311.12
AlogP 2.54
HBond donors 2
HBond acceptors 5
Atoms 40
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 Elmerrillicine.