Molecule card · MolClass #43192

7964859

7964859: 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: 7964859Mitochondrial Fusion · compound_name
MolClass ID: 43192
InChIKey: RHLFFEDYLGIMGC-UHFFFAOYSA-N
Canonical SMILES: Cc4ccc5OCc3cnn(CC(=O)Nc1ccccc1N2CCN(C)CC2)c3c5(c4)
Standard InChI: InChI=1S/C24H27N5O2/c1-17-7-8-22-19(13-17)24-18(16-31-22)14-25-29(24)15-23(30)26-20-5-3-4-6-21(20)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,30)
Stored Murcko scaffold: n1cc2c(-c3ccccc3OC2)n1C[CH]Nc4ccccc4N5CCNCC5

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: 62.63 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 417.504 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.377; 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 · 7964859