Structure of molecule 44243

Molecule card · MolClass #44243

4240648

4240648: 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
4240648Mitochondrial Fusion · compound_name
MolClass ID
44243
InChIKey
OUMGFQJGTTYAMS-OWBHPGMISA-N
Canonical SMILES
CC1C(=NO)C(CN(C)C)C2CC1C2(C)(C)
Standard InChI
InChI=1S/C13H24N2O/c1-8-10-6-11(13(10,2)3)9(7-15(4)5)12(8)14-16/h8-11,16H,6-7H2,1-5H3/b14-12-
Stored Murcko scaffold
[CH]1CC2CC(C1)C2

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
1
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
35.83 Ų
CDK 2.12 · 2026-08-19
Molecular weight
224.343 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.4
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 · 4240648