Molecule card · MolClass #42984

851063

851063: 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: 851063Mitochondrial Fusion · compound_name
MolClass ID: 42984
InChIKey: UUTFLOOIJMDNEY-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(no1)NC(=O)CSc3nnc2c4c(C)c(C)sc4(ncn23)
Standard InChI: InChI=1S/C15H14N6O2S2/c1-7-4-10(20-23-7)17-11(22)5-24-15-19-18-13-12-8(2)9(3)25-14(12)16-6-21(13)15/h4,6H,5H2,1-3H3,(H,17,20,22)
Stored Murcko scaffold: n1nc2c3ccsc3ncn2c1SC[CH]Nc4nocc4

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.

No other molecules currently have this stored scaffold.

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 151.75 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 374.443 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.138; 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 · 851063