Molecule card · MolClass #51406

14744622

14744622: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 14744622Mitochondrial Fusion · compound_name
MolClass ID: 51406
InChIKey: FBXVTQQKABKSGF-UHFFFAOYSA-N
Canonical SMILES: Cc2cccc(C)c2(NC(=O)CN(C)CC(=O)Nc1ccccc1Br)
Standard InChI: InChI=1S/C19H22BrN3O2/c1-13-7-6-8-14(2)19(13)22-18(25)12-23(3)11-17(24)21-16-10-5-4-9-15(16)20/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)
Stored Murcko scaffold: c1ccc(cc1)N[CH]CNC[CH]Nc2ccccc2

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.

24831970#48953
22409490#50037
17515900#50344

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.44 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 404.301 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.789; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14744622