Molecule card · MolClass #43016

14743152

14743152: 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: 14743152Mitochondrial Fusion · compound_name
MolClass ID: 43016
InChIKey: DFCFCMASTSXSLK-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C3=NNC(C(=O)c1ccc(C)cc1)C3(c2ccc(cc2)OC)
Standard InChI: InChI=1S/C21H22N2O4/c1-4-27-21(25)19-17(14-9-11-16(26-3)12-10-14)18(22-23-19)20(24)15-7-5-13(2)6-8-15/h5-12,17-18,22H,4H2,1-3H3
Stored Murcko scaffold: N1=CC(c2ccccc2)C([CH]c3ccccc3)N1

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.

22415154#40635
14736012#41668
24786027#43097

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 76.99 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 366.411 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.559; 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 · 14743152