Structure of molecule 37492

Molecule card · MolClass #37492

22412281

22412281: 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
22412281Mitochondrial Fusion · compound_name
MolClass ID
37492
InChIKey
VMHVKYKHUFJZBI-UHFFFAOYSA-N
Canonical SMILES
Cc1ccsc1C3Nc2ccccc2C(=O)N3(O)
Standard InChI
InChI=1S/C13H12N2O2S/c1-8-6-7-18-11(8)12-14-10-5-3-2-4-9(10)13(16)15(12)17/h2-7,12,14,17H,1H3
Stored Murcko scaffold
[N]1[CH]c2ccccc2NC1c3sccc3

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
2
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
1
CDK 2.12 · 2026-08-19
Topological polar surface area
80.81 Ų
CDK 2.12 · 2026-08-19
Molecular weight
260.313 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.37
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 · 22412281