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RCE
FEATURES
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NAMES
  • RCE
SMILES
CC1OC2C(n3ccc(=O)[nH]c3=O)OC1(COP(=O)(O)O)C2O
InChI
InChI=1S/C11H15N2O9P/c1-5-11(4-20-23(17,18)19)8(15)7(21-5)9(22-11)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8+,9-,11+/m1/s1
MOLECULAR FORMULA
C11H15N2O9P
CROSS REFERENCES
  • UniChem: 27265424
  • canSAR: 1016853
  • PDBe (Protein Data Bank Europe): RCE
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RCE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 350.05
AlogP -1.94
HBond donors 4
HBond acceptors 11
Atoms 38
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by RCE.