Molecule card · MolClass #37008

7967169

7967169: 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: 7967169Mitochondrial Fusion · compound_name
MolClass ID: 37008
InChIKey: ONUHLYCFPJAGTC-UHFFFAOYSA-N
Canonical SMILES: N#CC=1C(CC(=O)N2CN(CSC=12)c3ccc(F)cc3)c4cccc(F)c4
Standard InChI: InChI=1S/C20H15F2N3OS/c21-14-4-6-16(7-5-14)24-11-25-19(26)9-17(13-2-1-3-15(22)8-13)18(10-23)20(25)27-12-24/h1-8,17H,9,11-12H2
Stored Murcko scaffold: S1C2=CC(c3ccccc3)C[CH]N2CN(c4ccccc4)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.

4896058#9937
865677#30998
7967127#36683
7968713#37015
7968300#37431
7965083#37436
7965971#37459
7967630#37614
7968902#37755
7965458#38582
865253#39361

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 72.64 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 383.416 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.625; 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 · 7967169