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Homoaromoline
FEATURES
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NAMES
  • HOMOAROMOLINE
  • NSC-251213
SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
MOLECULAR FORMULA
C37H40N2O6
CROSS REFERENCES
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Homoaromoline

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 608.29
AlogP 6.86
HBond donors 1
HBond acceptors 8
Atoms 85
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 Homoaromoline.