Molecule card · MolClass #41322

24827925

24827925: 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: 24827925Mitochondrial Fusion · compound_name
MolClass ID: 41322
InChIKey: GCNJCUUAOBHZNQ-UHFFFAOYSA-N
Canonical SMILES: CC4=C(NC(=O)CN2C(=O)NC(CCc1ccccc1)C2(=O))C(=O)N(c3ccccc3)N4(C)
Standard InChI: InChI=1S/C24H25N5O4/c1-16-21(23(32)29(27(16)2)18-11-7-4-8-12-18)26-20(30)15-28-22(31)19(25-24(28)33)14-13-17-9-5-3-6-10-17/h3-12,19H,13-15H2,1-2H3,(H,25,33)(H,26,30)
Stored Murcko scaffold: c1ccc(cc1)N2[CH]C(=CN2)N[CH]CN3[CH]NC([CH]3)CCc4ccccc4

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: 9; 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: 102.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 447.487 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.373; 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 · 24827925