Molecule card · MolClass #37067

849185

849185: 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: 849185Mitochondrial Fusion · compound_name
MolClass ID: 37067
InChIKey: OVDWYSXALMLOQI-UHFFFAOYSA-N
Canonical SMILES: CCN(CC)C(=O)CN1C(=O)C2CC=C(CC2(C1(=O)))Cl
Standard InChI: InChI=1S/C14H19ClN2O3/c1-3-16(4-2)12(18)8-17-13(19)10-6-5-9(15)7-11(10)14(17)20/h5,10-11H,3-4,6-8H2,1-2H3
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
4255132#42394

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: 57.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 298.766 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.025; 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 · 849185