Molecule card · MolClass #37448

24784243

24784243: 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: 24784243Mitochondrial Fusion · compound_name
MolClass ID: 37448
InChIKey: RHJNURGZMZLYEZ-UHFFFAOYSA-N
Canonical SMILES: CCc1cc3c(C)ccc(C)c3(nc1SCC(=O)Nc2cnc(O)nc2(O))
Standard InChI: InChI=1S/C19H20N4O3S/c1-4-12-7-13-10(2)5-6-11(3)16(13)22-18(12)27-9-15(24)21-14-8-20-19(26)23-17(14)25/h5-8H,4,9H2,1-3H3,(H,21,24)(H2,20,23,25,26)
Stored Murcko scaffold: n1cncc(c1)N[CH]CSc2nc3ccccc3cc2

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.

17503855#33925
24780253#41661

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 133.53 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 384.454 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.562; 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 · 24784243