3JB
FEATURES
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NAMES
  • 3JB
SMILES
Cc1nc([C@H]2CN(c3ncnc4[nH]cc(-c5cccc(C#N)c5)c34)CCO2)no1
InChI
InChI=1S/C20H17N7O2/c1-12-25-18(26-29-12)16-10-27(5-6-28-16)20-17-15(9-22-19(17)23-11-24-20)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)/t16-/m1/s1
MOLECULAR FORMULA
C20H17N7O2
CROSS REFERENCES
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3JB
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight387.14
AlogP2.77
HBond donors1
HBond acceptors9
Atoms46
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3JB.