brilacidin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

936.92

ALogP

3.68

Rule of 5

No

Rule of 3

No
Details
  • SMILES: NC(=N)NCCCCC(=O)Nc1cc(cc(NC(=O)c2cc(ncn2)C(=O)Nc3cc(cc(NC(=O)CCCCNC(=N)N)c3O[C@@H]4CCNC4)C(F)(F)F)c1O[C@@H]5CCNC5)C(F)(F)F
  • InChIKey: QPDYBCZNGUJZDK-DNQXCXABSA-N
    InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2219413   ChEMBL
brilacidin

Brilacidin   Wikipedia

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