Molecule card · MolClass #41894

24782296

24782296: 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: 24782296Mitochondrial Fusion · compound_name
MolClass ID: 41894
InChIKey: VVNCUSDLTDHHRH-UHFFFAOYSA-N
Canonical SMILES: CN(Cc1ccccc1)C(=O)c5nc2ccccn2c5(CN4CCc3c(ccs3)C4)
Standard InChI: InChI=1S/C24H24N4OS/c1-26(15-18-7-3-2-4-8-18)24(29)23-20(28-12-6-5-9-22(28)25-23)17-27-13-10-21-19(16-27)11-14-30-21/h2-9,11-12,14H,10,13,15-17H2,1H3
Stored Murcko scaffold: [N]([CH]c1nc2ccccn2c1CN3Cc4ccsc4CC3)Cc5ccccc5

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.

No other molecules currently have this stored scaffold.

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 69.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 416.541 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.799; 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 · 24782296