Molecule card · MolClass #45527

7976919

7976919: 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: 7976919Mitochondrial Fusion · compound_name
MolClass ID: 45527
InChIKey: FYRNLYAWMQKHCA-MNDPQUGUSA-N
Canonical SMILES: CCCC(=C1C(=O)CC(CC1(=O))CC(C)SCC)N2CCCC2
Standard InChI: InChI=1S/C19H31NO2S/c1-4-8-16(20-9-6-7-10-20)19-17(21)12-15(13-18(19)22)11-14(3)23-5-2/h14-15H,4-13H2,1-3H3/b19-16-
Stored Murcko scaffold: C(=C1[CH]CCC[CH]1)N2CCCC2

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.

858042#41348
16953720#42551

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 62.68 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 337.522 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.962; 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 · 7976919