Molecule card · MolClass #51542

14737268

14737268: 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: 14737268Mitochondrial Fusion · compound_name
MolClass ID: 51542
InChIKey: OZCTZEQRPXUHPT-MDWZMJQESA-N
Canonical SMILES: CC3=NOC(=O)C3(=Cc1ccc(o1)c2ccc(cc2)Cl)
Standard InChI: InChI=1S/C15H10ClNO3/c1-9-13(15(18)20-17-9)8-12-6-7-14(19-12)10-2-4-11(16)5-3-10/h2-8H,1H3/b13-8+
Stored Murcko scaffold: N=1O[CH]C(C1)=Cc2oc(cc2)-c3ccccc3

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.

24785452#49707
14736712#51553

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; 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: 51.8 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 287.698 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.767; 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 · 14737268