A2H
FEATURES
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NAMES
  • A2H
SMILES
CCOc1ccc(Cl)c2c1[B-]1(OC2CN)OC2C(COP(=O)([O-])[O-])OC(n3cnc4c(N)ncnc43)C2O1
InChI
InChI=1S/C20H24BClN6O9P/c1-2-32-10-4-3-9(22)13-11(5-23)35-21(14(10)13)36-16-12(6-33-38(29,30)31)34-20(17(16)37-21)28-8-27-15-18(24)25-7-26-19(15)28/h3-4,7-8,11-12,16-17,20H,2,5-6,23H2,1H3,(H2,24,25,26)(H2,29,30,31)/q-1/p-2/t11-,12-,16-,17-,20-,21+/m1/s1
MOLECULAR FORMULA
C20H22BClN6O9P-3
CROSS REFERENCES
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A2H
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight567.10
AlogP-1.14
HBond donors4
HBond acceptors15
Atoms60
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by A2H.