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YNE
FEATURES
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NAMES
  • YNE
SMILES
Cc1nn(C)c(C)c1Cc1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1
InChI
InChI=1S/C22H25N5O2S/c1-13-17(14(2)27(3)26-13)12-19-24-25-22(29-19)21-20(28-15-8-10-23-11-9-15)16-6-4-5-7-18(16)30-21/h4-7,15,23H,8-12H2,1-3H3
MOLECULAR FORMULA
C22H25N5O2S
CROSS REFERENCES
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YNE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 423.17
AlogP 4.02
HBond donors 1
HBond acceptors 7
Atoms 55
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 YNE.