Molecule card · MolClass #44435

7968188

7968188: 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: 7968188Mitochondrial Fusion · compound_name
MolClass ID: 44435
InChIKey: LJZYIWDONBNXFH-UHFFFAOYSA-N
Canonical SMILES: CCN(Cc1ccccc1)C(=O)Cn2cc3CCCCc3(n2)
Standard InChI: InChI=1S/C18H23N3O/c1-2-20(12-15-8-4-3-5-9-15)18(22)14-21-13-16-10-6-7-11-17(16)19-21/h3-5,8-9,13H,2,6-7,10-12,14H2,1H3
Stored Murcko scaffold: [N]([CH]Cn1nc2c(c1)CCCC2)Cc3ccccc3

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: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 38.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 297.395 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.979; 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 · 7968188