Molecule card · MolClass #37565

24790432

24790432: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 24790432Mitochondrial Fusion · compound_name
MolClass ID: 37565
InChIKey: BINRZWSFDMCURV-UHFFFAOYSA-N
Canonical SMILES: CN(C)CCNC2=C(N)C(=O)Oc1ccccc12
Standard InChI: InChI=1S/C13H17N3O2/c1-16(2)8-7-15-12-9-5-3-4-6-10(9)18-13(17)11(12)14/h3-6,15H,7-8,14H2,1-2H3
Stored Murcko scaffold: O1[CH]C=Cc2ccccc12

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.

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 67.59 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 247.293 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.535; 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 · 24790432