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Delequamine
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NAMES
  • Delequamine
SMILES
COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21
InChI
InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17+,18+/m1/s1
MOLECULAR FORMULA
C18H26N2O3S
CROSS REFERENCES
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Delequamine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 350.17
AlogP 2.04
HBond donors 0
HBond acceptors 5
Atoms 50
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 Delequamine.