Molecule card · MolClass #49963

22410228

22410228: 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: 22410228Mitochondrial Fusion · compound_name
MolClass ID: 49963
InChIKey: UMFXFFXEZJGCBW-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)NC(=O)c3cc(nn3(c2ccccc2))c4ccccc4
Standard InChI: InChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)24-23(27)22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
Stored Murcko scaffold: n1c(cc([CH]Nc2ccccc2)n1-c3ccccc3)-c4ccccc4

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.

22410105#49993
22402940#50227

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 353.417 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.442; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 22410228