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5-amino-NAADP
FEATURES
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NAMES
  • 5-amino-NAADP
SMILES
Nc1cc(C(=O)[O-])c[n+]([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)c1
InChI
InChI=1S/C21H28N7O18P3/c22-9-1-8(21(32)33)2-27(3-9)19-15(31)13(29)10(43-19)4-41-48(37,38)46-49(39,40)42-5-11-14(30)16(45-47(34,35)36)20(44-11)28-7-26-12-17(23)24-6-25-18(12)28/h1-3,6-7,10-11,13-16,19-20,29-31H,4-5,22H2,(H6-,23,24,25,32,33,34,35,36,37,38,39,40)/t10-,11+,13-,14+,15-,16+,19-,20+/m0/s1
MOLECULAR FORMULA
C21H28N7O18P3
CROSS REFERENCES
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5-amino-NAADP

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 759.07
AlogP -4.05
HBond donors 11
HBond acceptors 25
Atoms 77
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 5-amino-NAADP.