arq 736 Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

674.54

ALogP

2.5

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1ccc(S(=O)(=O)N2CCC[C@@H](Nc3nccc(-c4c(-c5cccc(OCOP(=O)([O-])[O-])c5)nc5occn45)n3)C2)n1.[Na+].[Na+]
  • InChIKey: HXINDCTZKGGRDE-JPKZNVRTSA-L
    InChI=1S/C25H27N8O8PS.2Na/c1-31-11-8-21(30-31)43(37,38)32-10-3-5-18(15-32)27-24-26-9-7-20(28-24)23-22(29-25-33(23)12-13-39-25)17-4-2-6-19(14-17)40-16-41-42(34,35)36;;/h2,4,6-9,11-14,18H,3,5,10,15-16H2,1H3,(H,26,27,28)(H2,34,35,36);;/q;2*+1/p-2/t18-;;/m1../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545296   ChEMBL
arq-736

CHEMBL5314407   ChEMBL
arq-736

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