Molecule card · MolClass #43605

14743499

14743499: 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: 14743499Mitochondrial Fusion · compound_name
MolClass ID: 43605
InChIKey: KNOKDCYSVKCKSB-UHFFFAOYSA-N
Canonical SMILES: C=CCn2c(nc1nc3ccccc3(nc12))c4cccc(c4)OC
Standard InChI: InChI=1S/C19H16N4O/c1-3-11-23-18(13-7-6-8-14(12-13)24-2)22-17-19(23)21-16-10-5-4-9-15(16)20-17/h3-10,12H,1,11H2,2H3
Stored Murcko scaffold: n1c2nc([nH]c2nc3ccccc13)-c4ccccc4

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.

862933#41343
14743498#43656
863005#46981
17401509#48046

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 52.83 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 316.357 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.5; 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 · 14743499