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Ro-64-6198
FEATURES
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NAMES
  • Ro-64-6198
SMILES
O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2
InChI
InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
MOLECULAR FORMULA
C26H31N3O
CROSS REFERENCES
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Ro-64-6198

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 401.25
AlogP 4.37
HBond donors 1
HBond acceptors 4
Atoms 61
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 Ro-64-6198.