Molecule card · MolClass #41132

7974366

7974366: 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: 7974366Mitochondrial Fusion · compound_name
MolClass ID: 41132
InChIKey: HJHANUGWSSSVNC-OVCLIPMQSA-N
Canonical SMILES: COc1cccc(c1)N=CC=2C(=O)OC(C)(C)OC=2(O)
Standard InChI: InChI=1S/C14H15NO5/c1-14(2)19-12(16)11(13(17)20-14)8-15-9-5-4-6-10(7-9)18-3/h4-8,16H,1-3H3/b15-8+
Stored Murcko scaffold: N(=CC=1[CH]OCOC1)c2ccccc2

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.

7977347#29399
7973984#37873
858707#38288
859927#38871
4246506#39903
850939#39940
4241341#40161

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 77.35 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 277.273 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.594; 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 · 7974366