Molecule card · MolClass #51611

14733270

14733270: 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: 14733270Mitochondrial Fusion · compound_name
MolClass ID: 51611
InChIKey: LHEQXMWEIUWNSP-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1(C))N2CCN(CC2)C(=O)C(Cc3ccccc3)n4cccc4
Standard InChI: InChI=1S/C25H29N3O/c1-20-9-8-12-23(21(20)2)27-15-17-28(18-16-27)25(29)24(26-13-6-7-14-26)19-22-10-4-3-5-11-22/h3-14,24H,15-19H2,1-2H3
Stored Murcko scaffold: c1ccc(cc1)N2CCN([CH]C(n3cccc3)Cc4ccccc4)CC2

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.

5307622#9930
14731708#51676

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: 28.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 387.518 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.002; 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 · 14733270