temoporfin Report issue

Small molecule Experimental
AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

680.76

ALogP

9.76

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2CC4)C=C3)c1
  • InChIKey: KSXLETNRCMCRAQ-LWQDQPMZSA-N
    InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,45-46,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL383675   ChEMBL
temoporfin

Temoporfin   Wikipedia

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