Molecule card · MolClass #45242

14740764

14740764: 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: 14740764Mitochondrial Fusion · compound_name
MolClass ID: 45242
InChIKey: WMWSWKRYUIBSER-UHFFFAOYSA-N
Canonical SMILES: CCNC(=O)CC2C(=O)N(CC)C(N2(NC(=O)c1ccc(cc1)Cl))=S
Standard InChI: InChI=1S/C16H19ClN4O3S/c1-3-18-13(22)9-12-15(24)20(4-2)16(25)21(12)19-14(23)10-5-7-11(17)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,18,22)(H,19,23)
Stored Murcko scaffold: [N]1[CH]N(N[CH]c2ccccc2)C[CH]1

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.

14740142#42693
14738236#43882

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 113.84 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 382.867 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.573; 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 · 14740764