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Small molecule Experimental
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Chemistry

Mol. Mass

355.38

ALogP

-1.1

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](N)C(=O)N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21
  • InChIKey: BBGHHIUQOKQCBW-LDZWZCGGSA-N
    InChI=1S/C13H17N5O5S/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18)/t4-,5+,6-,7-,8-,13-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3544939   ChEMBL
ly2979165

CHEMBL4303379   ChEMBL
ly2979165

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