Molecule card · MolClass #39519

7966764

7966764: 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: 7966764Mitochondrial Fusion · compound_name
MolClass ID: 39519
InChIKey: SBMZNCCGJLGSQD-UHFFFAOYSA-N
Canonical SMILES: CC2CCc3nn(CC(=O)NCc1ccc(F)cc1)cc3(C2)
Standard InChI: InChI=1S/C17H20FN3O/c1-12-2-7-16-14(8-12)10-21(20-16)11-17(22)19-9-13-3-5-15(18)6-4-13/h3-6,10,12H,2,7-9,11H2,1H3,(H,19,22)
Stored Murcko scaffold: n1c2c(cn1C[CH]NCc3ccccc3)CCCC2

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.

7968946#41277
7967833#42562
7968609#43496

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 301.359 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.083; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 7966764