Molecule card · MolClass #38024

24818734

24818734: 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: 24818734Mitochondrial Fusion · compound_name
MolClass ID: 38024
InChIKey: STTFMIKZFVMWJL-OVCLIPMQSA-N
Canonical SMILES: CCOC(=O)CSC3=NC(=Cc1ccc(cc1)n2cncn2)C(=O)N3(C(C)=O)
Standard InChI: InChI=1S/C18H17N5O4S/c1-3-27-16(25)9-28-18-21-15(17(26)23(18)12(2)24)8-13-4-6-14(7-5-13)22-11-19-10-20-22/h4-8,10-11H,3,9H2,1-2H3/b15-8+
Stored Murcko scaffold: [N]1C=NC([CH]1)=Cc2ccc(cc2)-n3ncnc3

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: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 132.05 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 399.425 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.203; 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 · 24818734