Molecule card · MolClass #36577

24807915

24807915: 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: 24807915Mitochondrial Fusion · compound_name
MolClass ID: 36577
InChIKey: OXKAVAZINRJFSR-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1(C))N3C(=O)C4C(c2ccccc2)N5CCCN5(C4(C3(=O)))
Standard InChI: InChI=1S/C22H23N3O2/c1-14-9-10-17(13-15(14)2)25-21(26)18-19(16-7-4-3-5-8-16)23-11-6-12-24(23)20(18)22(25)27/h3-5,7-10,13,18-20H,6,11-12H2,1-2H3
Stored Murcko scaffold: c1ccc(cc1)N2[CH]C3N4N(CCC4)C(c5ccccc5)C3[CH]2

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.

26666395#28338
24809950#36126

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 43.86 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 361.438 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.362; 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 · 24807915