931132 logo
Mycophenolic Ethylenephosphonate-8-Thioadenosine
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • Mycophenolic Ethylenephosphonate-8-Thioadenosine
SMILES
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CCSc1nc3c(N)ncnc3n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O)C(=O)OC2
InChI
InChI=1S/C24H30N5O11PS/c1-10-12-8-38-23(34)14(12)16(31)11(19(10)37-2)3-4-39-41(35,36)5-6-42-24-28-15-20(25)26-9-27-21(15)29(24)22-18(33)17(32)13(7-30)40-22/h9,13,17-18,22,30-33H,3-8H2,1-2H3,(H,35,36)(H2,25,26,27)/t13-,17-,18-,22-/m0/s1
MOLECULAR FORMULA
C24H30N5O11PS
CROSS REFERENCES
931132 logo

Mycophenolic Ethylenephosphonate-8-Thioadenosine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 627.14
AlogP 0.25
HBond donors 7
HBond acceptors 16
Atoms 72
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 Mycophenolic Ethylenephosphonate-8-Thioadenosine.