Molecule card · MolClass #42481

7969775

7969775: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 7969775Mitochondrial Fusion · compound_name
MolClass ID: 42481
InChIKey: UQCSLAKDGBJQHP-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1)NC(=O)C3=CN=C2N(C(C)=CS2)C3(=O)
Standard InChI: InChI=1S/C15H13N3O2S/c1-9-4-3-5-11(6-9)17-13(19)12-7-16-15-18(14(12)20)10(2)8-21-15/h3-8H,1-2H3,(H,17,19)
Stored Murcko scaffold: N=1C=C([CH]Nc2ccccc2)[CH]N3C=CSC13

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.

C457-0077#24838
7971708#27217
7969599#42691
7970254#44055
7971276#45813
7971170#47171
7970365#47542

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: 87.07 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 299.349 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.457; 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 · 7969775