regrelor disodium Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

532.45

ALogP

1.8

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21
  • InChIKey: NXHAXEBZOXCDKD-XIXRRVGJSA-N
    InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1162175   ChEMBL
regrelor *

CHEMBL261244   ChEMBL
regrelor disodium

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