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EAD
FEATURES
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NAMES
  • EAD
SMILES
CCc1cc(C(=O)[C@H]2C=CN([C@@H]3O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C=C2C(N)=O)ccn1
InChI
InChI=1S/C29H36N8O15P2/c1-2-14-7-13(3-5-32-14)20(38)15-4-6-36(8-16(15)26(31)43)28-23(41)21(39)17(50-28)9-48-53(44,45)52-54(46,47)49-10-18-22(40)24(42)29(51-18)37-12-35-19-25(30)33-11-34-27(19)37/h3-8,11-12,15,17-18,21-24,28-29,39-42H,2,9-10H2,1H3,(H2,31,43)(H,44,45)(H,46,47)(H2,30,33,34)/t15-,17+,18+,21+,22+,23+,24+,28+,29+/m0/s1
MOLECULAR FORMULA
C29H36N8O15P2
CROSS REFERENCES
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EAD

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 798.18
AlogP -1.62
HBond donors 10
HBond acceptors 23
Atoms 90
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by EAD.