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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

512.71

ALogP

-3.2

Rule of 5

No

Rule of 3

No
Details
  • SMILES: N[C@@H](CCCNC(=N)N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(=N)N)CC1
  • InChIKey: HRDUUSCYRPOMSO-ROUUACIJSA-N
    InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)/t17-,18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3544919   ChEMBL
ciraparantag

Ciraparantag   Wikipedia

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