Molecule card · MolClass #43148

7965573

7965573: 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: 7965573Mitochondrial Fusion · compound_name
MolClass ID: 43148
InChIKey: CAPFYEJVRDJLQO-UHFFFAOYSA-N
Canonical SMILES: Cc3ccc4OC=5C(=O)N(c1ccccn1)C(c2cccc(O)c2)C=5(C(=O)c4(c3))
Standard InChI: InChI=1S/C23H16N2O4/c1-13-8-9-17-16(11-13)21(27)19-20(14-5-4-6-15(26)12-14)25(23(28)22(19)29-17)18-7-2-3-10-24-18/h2-12,20,26H,1H3
Stored Murcko scaffold: n1ccccc1N2[CH]C=3Oc4ccccc4[CH]C3C2c5ccccc5

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.

7965814#33423
863151#40058

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 79.73 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 384.385 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.53; 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 · 7965573