Molecule card · MolClass #41674

24808095

24808095: 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: 24808095Mitochondrial Fusion · compound_name
MolClass ID: 41674
InChIKey: SUWXMHOTEFADIE-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1(C))N4C(=O)C5C3CC(=O)C(c2ccccc23)C5(C4(=O))
Standard InChI: InChI=1S/C22H19NO3/c1-11-6-5-9-16(12(11)2)23-21(25)19-15-10-17(24)18(20(19)22(23)26)14-8-4-3-7-13(14)15/h3-9,15,18-20H,10H2,1-2H3
Stored Murcko scaffold: c1ccc(cc1)N2[CH]C3C4[CH]CC(c5ccccc54)C3[CH]2

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.

24807676#41753
17414282#42963
17504116#43701
17412786#46634

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: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 54.45 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 345.392 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.772; 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 · 24808095