Molecule card · MolClass #43713

844238

844238: 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: 844238Mitochondrial Fusion · compound_name
MolClass ID: 43713
InChIKey: BYAZJGSOBFNMGG-UHFFFAOYSA-N
Canonical SMILES: CC1(C)(CC(=O)C2=CNc3ccccc3(N=C2(C1)))
Standard InChI: InChI=1S/C15H16N2O/c1-15(2)7-13-10(14(18)8-15)9-16-11-5-3-4-6-12(11)17-13/h3-6,9,16H,7-8H2,1-2H3
Stored Murcko scaffold: N=1c2ccccc2NC=C3[CH]CCCC13

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.

14742624#29269
4254573#41281

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: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 41.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 240.301 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.487; 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 · 844238