Molecule card · MolClass #47856

14718870

14718870: 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: 14718870Mitochondrial Fusion · compound_name
MolClass ID: 47856
InChIKey: FTEHKBSVTFDQHR-UHFFFAOYSA-N
Canonical SMILES: COc1ccc(cc1)C3=CC(=O)c2ccccc2N3(C)
Standard InChI: InChI=1S/C17H15NO2/c1-18-15-6-4-3-5-14(15)17(19)11-16(18)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3
Stored Murcko scaffold: c1ccc(cc1)C2=C[CH]c3ccccc3N2

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.

14727848#43268
14727847#43291
7977456#43848

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 29.54 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 265.307 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.961; 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 · 14718870