Molecule card · MolClass #49247

24815619

24815619: 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: 24815619Mitochondrial Fusion · compound_name
MolClass ID: 49247
InChIKey: FVSUGONHFLQLEA-UHFFFAOYSA-N
Canonical SMILES: Cc2ccc3nc(N(CCCN(C)C)C(=O)COc1ccc(cc1)Cl)sc3(c2)
Standard InChI: InChI=1S/C21H24ClN3O2S/c1-15-5-10-18-19(13-15)28-21(23-18)25(12-4-11-24(2)3)20(26)14-27-17-8-6-16(22)7-9-17/h5-10,13H,4,11-12,14H2,1-3H3
Stored Murcko scaffold: [N]([CH]COc1ccccc1)c2nc3ccccc3s2

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.

24816284#49228
24815616#49263

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 73.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 417.954 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.996; 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 · 24815619