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ILD
FEATURES
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NAMES
  • ILD
SMILES
CCC(C(=O)N1C(=O)OC(c2ccccc2)C1C)C1OC(CC)(C2CCC(CC)(C(C)O)O2)CC1C
InChI
InChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24-18(4)17-29(9-3,36-24)23-15-16-28(8-2,35-23)20(6)31/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20-,22+,23+,24-,25+,28+,29-/m0/s1
MOLECULAR FORMULA
C29H43NO6
CROSS REFERENCES
  • UniChem: 27265191
  • canSAR: 1017182
  • PDBe (Protein Data Bank Europe): ILD
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ILD

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 501.31
AlogP 5.40
HBond donors 1
HBond acceptors 7
Atoms 79
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 ILD.