tern-101 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

540.45

ALogP

6.9

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1cc(C(=O)O)c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21
  • InChIKey: RPVDFHPBGBMWID-UHFFFAOYSA-N
    InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3746388   ChEMBL
tern-101

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