Structure of molecule 37309

Molecule card · MolClass #37309

24824549

24824549: 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
24824549Mitochondrial Fusion · compound_name
MolClass ID
37309
InChIKey
ICBQMUXQZBRNMY-UHFFFAOYSA-N
Canonical SMILES
Cc2cc3ncc(C(=O)Nc1ccsc1(C(=O)O))c(C)n3(n2)
Standard InChI
InChI=1S/C14H12N4O3S/c1-7-5-11-15-6-9(8(2)18(11)17-7)13(19)16-10-3-4-22-12(10)14(20)21/h3-6H,1-2H3,(H,16,19)(H,20,21)
Stored Murcko scaffold
n1cc([CH]Nc2cscc2)cn3nccc13

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
6
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
124.83 Ų
CDK 2.12 · 2026-08-19
Molecular weight
316.337 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.437
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 · 24824549