epc2407 Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

417.26

ALogP

2.85

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(cc(Br)c1OC)[C@H]2C(=C(N)Oc3c(N)c(N)ccc23)C#N
  • InChIKey: JXONINOYTKKXQQ-CQSZACIVSA-N
    InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3/t14-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2103852   ChEMBL
crolibulin

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