brostallicin Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

723.59

ALogP

1.65

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)C(=C)Br)cn4C)cn3C)cn2C)cc1C(=O)NCCN=C(N)N
  • InChIKey: RXOVOXFAAGIKDQ-UHFFFAOYSA-N
    InChI=1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1189025   ChEMBL
brostallicin

Brostallicin   Wikipedia

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