Molecule card · MolClass #37493

14719355

14719355: 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: 14719355Mitochondrial Fusion · compound_name
MolClass ID: 37493
InChIKey: OVFJASKSVIZLPR-QINSGFPZSA-N
Canonical SMILES: CCCCCCN=C1C=C(C)OC(O)=C1(C(C)=O)
Standard InChI: InChI=1S/C14H21NO3/c1-4-5-6-7-8-15-12-9-10(2)18-14(17)13(12)11(3)16/h9,17H,4-8H2,1-3H3/b15-12-
Stored Murcko scaffold: O1C=C[CH]C=C1

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.

2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE#2107
103616-17-7#2951
118-71-8#6976
501-30-4#7454
2060910#17651
22414579#25902
22400733#26164
4256875#27160
CC1OC=CC(=O)C=1C=CO#156439

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 58.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 251.322 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.565; 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 · 14719355