Structure of molecule 35745

Molecule card · MolClass #35745

24823124

24823124: 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
24823124Mitochondrial Fusion · compound_name
MolClass ID
35745
InChIKey
VSCQQXWNOGFHHT-UHFFFAOYSA-N
Canonical SMILES
Cc1cc[n+](cc1(C))C=3[N-]C(=O)SC=3(C=NNC(=O)c2ccccc2)
Standard InChI
InChI=1S/C18H16N4O2S/c1-12-8-9-22(11-13(12)2)16-15(25-18(24)20-16)10-19-21-17(23)14-6-4-3-5-7-14/h3-11H,1-2H3,(H-,19,20,21,23,24)
Stored Murcko scaffold
N(=CC=1S[CH][N-]C1[n+]2ccccc2)N[CH]c3ccccc3

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
87.71 Ų
CDK 2.12 · 2026-08-19
Molecular weight
352.412 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.747
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 · 24823124