TIR
FEATURES
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NAMES
  • TIR
SMILES
CC1=C[C@H](O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1\C(=O)CNC1=O)[C@H]2C
InChI
InChI=1S/C22H29NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,16,19-20,24-25H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,16+,19-,20+,22+/m1/s1
MOLECULAR FORMULA
C22H29NO6
CROSS REFERENCES
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TIR
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight403.20
AlogP2.09
HBond donors3
HBond acceptors7
Atoms58
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TIR.