Molecule card · MolClass #41420

14731947

14731947: 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: 14731947Mitochondrial Fusion · compound_name
MolClass ID: 41420
InChIKey: NSJJWLXNXFYCGY-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)N1CCN(CC1)C=2C(=O)C(=O)C=2(NCCOC)
Standard InChI: InChI=1S/C14H21N3O5/c1-3-22-14(20)17-7-5-16(6-8-17)11-10(12(18)13(11)19)15-4-9-21-2/h15H,3-9H2,1-2H3
Stored Murcko scaffold: [N]1CCN(C2=C[CH][CH]2)CC1

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.

14737109#41235
7969418#42948
14735404#46918

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 88.18 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 311.334 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.39; 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 · 14731947