Molecule card · MolClass #42394

4255132

4255132: 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: 4255132Mitochondrial Fusion · compound_name
MolClass ID: 42394
InChIKey: OLVIZFKZLFJCGX-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(C)C2C(=O)N(CCCN(C)C)C(=O)C2(C1)
Standard InChI: InChI=1S/C15H24N2O2/c1-10-8-11(2)13-12(9-10)14(18)17(15(13)19)7-5-6-16(3)4/h8,11-13H,5-7,9H2,1-4H3
Stored Murcko scaffold: [N]1[CH]C2CC=CCC2[CH]1

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.

NOCAS_M129#3990
14730395#27554
849185#37067

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 40.62 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 264.364 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.817; 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 · 4255132