Molecule card · MolClass #40632

14730437

14730437: 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: 14730437Mitochondrial Fusion · compound_name
MolClass ID: 40632
InChIKey: MUXMMHQBAPZLMA-IBGZPJMESA-N
Canonical SMILES: O=C4c1ccccc1C5N(c2ccccc2)C(=O)c3ccccc3N45
Standard InChI: InChI=1S/C21H14N2O2/c24-20-16-11-5-4-10-15(16)19-22(14-8-2-1-3-9-14)21(25)17-12-6-7-13-18(17)23(19)20/h1-13,19H/t19-/m0/s1
Stored Murcko scaffold: c1ccc(cc1)N2[CH]c3ccccc3N4[CH]c5ccccc5C24

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.

858005#46428
857886#46442

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 40.62 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 326.349 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.966; 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 · 14730437