Molecule card · MolClass #43337

24786493

24786493: 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: 24786493Mitochondrial Fusion · compound_name
MolClass ID: 43337
InChIKey: LSCRONSYQGHDGT-UHFFFAOYSA-N
Canonical SMILES: CC(C)NC(=O)CC3C(=O)NCCN3(CC(c1ccccc1)c2ccccc2)
Standard InChI: InChI=1S/C23H29N3O2/c1-17(2)25-22(27)15-21-23(28)24-13-14-26(21)16-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,24,28)(H,25,27)
Stored Murcko scaffold: c1ccc(cc1)C(c2ccccc2)CN3C[CH]NCC3

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.

No other molecules currently have this stored scaffold.

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: 379.496 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.699; 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 · 24786493