Aspacytarabine Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

358.31

ALogP

-3.4

Rule of 5

No

Rule of 3

No
Details
  • SMILES: N[C@@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)C(=O)O
  • InChIKey: PVPJTBAEAQVTPN-HRAQMCAYSA-N
    InChI=1S/C13H18N4O8/c14-5(12(22)23)3-8(19)15-7-1-2-17(13(24)16-7)11-10(21)9(20)6(4-18)25-11/h1-2,5-6,9-11,18,20-21H,3-4,14H2,(H,22,23)(H,15,16,19,24)/t5-,6+,9+,10-,11+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297599   ChEMBL
aspacytarabine

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