Molecule card · MolClass #49291

24814288

24814288: 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: 24814288Mitochondrial Fusion · compound_name
MolClass ID: 49291
InChIKey: FMFXHGSJVABBPS-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C1CCN(CC1)c3nc(nc2ccccc23)c4ccc(C)cc4
Standard InChI: InChI=1S/C23H25N3O2/c1-3-28-23(27)18-12-14-26(15-13-18)22-19-6-4-5-7-20(19)24-21(25-22)17-10-8-16(2)9-11-17/h4-11,18H,3,12-15H2,1-2H3
Stored Murcko scaffold: n1c(nc(c2ccccc12)N3CCCCC3)-c4ccccc4

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.

3002-1335#24901
860534#52356
CC1CCCCN1c1nc(nc2ccccc21)c1ccccc1O#151388

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 55.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 375.464 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.267; 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 · 24814288