Molecule card · MolClass #51978

7973491

7973491: 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: 7973491Mitochondrial Fusion · compound_name
MolClass ID: 51978
InChIKey: UOLVTUVNQRAZPK-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(cc(C)c1Cl)OCCCn2ccnc2
Standard InChI: InChI=1S/C14H17ClN2O/c1-11-8-13(9-12(2)14(11)15)18-7-3-5-17-6-4-16-10-17/h4,6,8-10H,3,5,7H2,1-2H3
Stored Murcko scaffold: n1ccn(c1)CCCOc2ccccc2

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.

1934221#17376
7974227#29461
22415183#34802
22415204#49870

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; 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: 27.05 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 264.751 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.425; 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 · 7973491