A1N
FEATURES
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NAMES
  • A1N
SMILES
C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@@H](C)O1
InChI
InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
MOLECULAR FORMULA
C21H25N5O2
CROSS REFERENCES
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A1N
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight379.20
AlogP3.56
HBond donors1
HBond acceptors7
Atoms53
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by A1N.