Molecule card · MolClass #42693

14740142

14740142: 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: 14740142Mitochondrial Fusion · compound_name
MolClass ID: 42693
InChIKey: IMULHRKDDZBFNL-UHFFFAOYSA-N
Canonical SMILES: CNC(=O)CC2C(=O)N(C)C(N2(NC(=O)c1ccc(cc1)Cl))=S
Standard InChI: InChI=1S/C14H15ClN4O3S/c1-16-11(20)7-10-13(22)18(2)14(23)19(10)17-12(21)8-3-5-9(15)6-4-8/h3-6,10H,7H2,1-2H3,(H,16,20)(H,17,21)
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.

14738236#43882
14740764#45242

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 113.84 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 354.813 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.727; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14740142