Molecule card · MolClass #41343

862933

862933: 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: 862933Mitochondrial Fusion · compound_name
MolClass ID: 41343
InChIKey: XHXRGQZKKQPLGL-UHFFFAOYSA-N
Canonical SMILES: C=CCn2c(nc1nc3ccccc3(nc12))c4ccccc4
Standard InChI: InChI=1S/C18H14N4/c1-2-12-22-17(13-8-4-3-5-9-13)21-16-18(22)20-15-11-7-6-10-14(15)19-16/h2-11H,1,12H2
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.

14743499#43605
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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 43.6 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 286.331 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.585; 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 · 862933