845819

Structure and identifiers

Imported compound names

845819Mitochondrial Fusion · compound_name

MolClass ID

52503

InChIKey

CHYQYPHRCKYDQR-UHFFFAOYSA-N

Canonical SMILES

Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)c3ccccc3Br

Standard InChI

InChI=1S/C19H21BrN2O/c1-14-7-8-15(2)18(13-14)21-9-11-22(12-10-21)19(23)16-5-3-4-6-17(16)20/h3-8,13H,9-12H2,1-2H3

Stored Murcko scaffold

c1ccc(cc1)[CH]N2CCN(c3ccccc3)CC2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

• 1540890#10498
• 2680#21110
• 24838690#34566
• 24828830#49009
• 14724758#51877
• [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1I#152426
• [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(F)c(F)cc1Cl#152478
• [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Br)cc2)c(Cl)c1#152540
• CCOc1ccccc1N1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl#152542
• [O-][N+](=O)c1cc(F)c(cc1C)N1CCN(CC1)C(=O)c1cccc(F)c1F#152592
• [O-][N+](=O)c1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(Cl)c1#152645
• [O-][N+](=O)c1cc(F)c(cc1C)N1CCN(CC1)C(=O)c1ccccc1#153235
• [O-][N+](=O)c1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(C)c1C#153344

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors

3

CDK 2.12 · 2026-08-19

Hydrogen bond donors

0

CDK 2.12 · 2026-08-19

Rotatable bonds

3

CDK 2.12 · 2026-08-19

Topological polar surface area

23.55 Ų

CDK 2.12 · 2026-08-19

Molecular weight

373.287 g/mol

CDK 2.12 · 2026-08-19

XLogP

4.961

CDK 2.12 · 2026-08-19

Source datasets

Dataset registrations and identifiers stored in MolClass.

• Mitochondrial Fusion

  Dataset #19 · 845819