Molecule card · MolClass #48973

24830830

24830830: 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: 24830830Mitochondrial Fusion · compound_name
MolClass ID: 48973
InChIKey: OZMDDVPOMNKRFK-LDADJPATSA-N
Canonical SMILES: Cc3cccc(C=NNc1ccc2ccccc2(n1))c3
Standard InChI: InChI=1S/C17H15N3/c1-13-5-4-6-14(11-13)12-18-20-17-10-9-15-7-2-3-8-16(15)19-17/h2-12H,1H3,(H,19,20)/b18-12+
Stored Murcko scaffold: N(=Cc1ccccc1)Nc2nc3ccccc3cc2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 37.28 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 261.322 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.609; 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 · 24830830