Molecule card · MolClass #49176

24819740

24819740: 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: 24819740Mitochondrial Fusion · compound_name
MolClass ID: 49176
InChIKey: BVZJRKFCHJWIPA-UHFFFAOYSA-N
Canonical SMILES: O=C(O)c4ccccc4(C(=O)c2ccc3OCC(=O)N(Cc1ccc(c(c1)Cl)Cl)c3(c2))
Standard InChI: InChI=1S/C23H15Cl2NO5/c24-17-7-5-13(9-18(17)25)11-26-19-10-14(6-8-20(19)31-12-21(26)27)22(28)15-3-1-2-4-16(15)23(29)30/h1-10H,11-12H2,(H,29,30)
Stored Murcko scaffold: O1c2ccc([CH]c3ccccc3)cc2N([CH]C1)Cc4ccccc4

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: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 456.276 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.918; 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 · 24819740