Structure of molecule 48930

Molecule card · MolClass #48930

14740433

14740433: 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
14740433Mitochondrial Fusion · compound_name
MolClass ID
48930
InChIKey
CBFKMPYKEKLXLQ-UHFFFAOYSA-N
Canonical SMILES
Cc1ccc(cc1)NC(=O)NC2CCCN2S(=O)(=O)c3ccc(cc3)Cl
Standard InChI
InChI=1S/C18H20ClN3O3S/c1-13-4-8-15(9-5-13)20-18(23)21-17-3-2-12-22(17)26(24,25)16-10-6-14(19)7-11-16/h4-11,17H,2-3,12H2,1H3,(H2,20,21,23)
Stored Murcko scaffold
S(c1ccccc1)N2CCCC2N[CH]Nc3ccccc3

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
6
CDK 2.12 · 2026-08-19
Topological polar surface area
86.89 Ų
CDK 2.12 · 2026-08-19
Molecular weight
393.889 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.413
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 · 14740433