Molecule card · MolClass #43174

24824114

24824114: 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: 24824114Mitochondrial Fusion · compound_name
MolClass ID: 43174
InChIKey: RVOXXQTVPXACME-VTINUIGFSA-N
Canonical SMILES: CC=C(C)C(=O)NCCN2C(Cc1ccc(cc1)OC)CN3C(CN=C23)C(C)C
Standard InChI: InChI=1S/C23H34N4O2/c1-6-17(4)22(28)24-11-12-26-19(13-18-7-9-20(29-5)10-8-18)15-27-21(16(2)3)14-25-23(26)27/h6-10,16,19,21H,11-15H2,1-5H3,(H,24,28)/b17-6+/t19-,21+/m0/s1
Stored Murcko scaffold: N1=C2NC(Cc3ccccc3)CN2CC1

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.

24824021#41846
24824027#43094

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.17 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 398.543 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.46; 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 · 24824114