Molecule card · MolClass #47894

24782637

24782637: 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: 24782637Mitochondrial Fusion · compound_name
MolClass ID: 47894
InChIKey: FCHZHKZZZGGPQU-UHFFFAOYSA-N
Canonical SMILES: CCN(c1ccccc1)C3=NC(=O)c2cccnc2S3
Standard InChI: InChI=1S/C15H13N3OS/c1-2-18(11-7-4-3-5-8-11)15-17-13(19)12-9-6-10-16-14(12)20-15/h3-10H,2H2,1H3
Stored Murcko scaffold: n1cccc2[CH]N=C(Sc12)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.

4255640#39853
14730347#40291
24781551#41364
14729723#45496

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 70.86 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 283.35 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.34; 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 · 24782637