A52
FEATURES
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NAMES
  • A52
SMILES
CCOc1cccc2c1[B-]1(OC2CN)OC2C(COP(=O)([O-])[O-])OC(n3cnc4c(N)ncnc43)C2O1
InChI
InChI=1S/C20H25BN6O9P/c1-2-31-11-5-3-4-10-12(6-22)34-21(14(10)11)35-16-13(7-32-37(28,29)30)33-20(17(16)36-21)27-9-26-15-18(23)24-8-25-19(15)27/h3-5,8-9,12-13,16-17,20H,2,6-7,22H2,1H3,(H2,23,24,25)(H2,28,29,30)/q-1/p-2/t12-,13-,16-,17-,20-,21+/m1/s1
MOLECULAR FORMULA
C20H23BN6O9P-3
CROSS REFERENCES
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A52
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight533.14
AlogP-1.79
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 A52.