bli-489 Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

327.3

ALogP

0.64

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C([O-])C1=CS[C@@H]2/C(=C\c3cn4c(n3)COCC4)C(=O)N12.[Na+]
  • InChIKey: RFSWVJXWZXQOSW-ZDFSRXSCSA-M
    InChI=1S/C13H11N3O4S.Na/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7;/h3-4,6,12H,1-2,5H2,(H,18,19);/q;+1/p-1/b8-3-;/t12-;/m1./s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297265   ChEMBL
bli-489

CHEMBL4302412   ChEMBL
bli-489

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