Molecule card · MolClass #49202

24817417

24817417: 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: 24817417Mitochondrial Fusion · compound_name
MolClass ID: 49202
InChIKey: CDDQOPVWPGXQSH-SDNWHVSQSA-N
Canonical SMILES: CC(C)(C)c1ccc(cc1)CN3N=C(C=Cc2ccccc2)CCC3(=O)
Standard InChI: InChI=1S/C23H26N2O/c1-23(2,3)20-12-9-19(10-13-20)17-25-22(26)16-15-21(24-25)14-11-18-7-5-4-6-8-18/h4-14H,15-17H2,1-3H3/b14-11+
Stored Murcko scaffold: N1=C(C=Cc2ccccc2)CC[CH]N1Cc3ccccc3

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.

14733187#51644
14728974#51764

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 32.67 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 346.466 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.601; 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 · 24817417