Molecule card · MolClass #38695

22402368

22402368: 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: 22402368Mitochondrial Fusion · compound_name
MolClass ID: 38695
InChIKey: CVDSPQSYTYGMNA-UHFFFAOYSA-N
Canonical SMILES: Cc3c(c1ccccc1)c2c(O)nc(CC(N)=O)nc2s3
Standard InChI: InChI=1S/C15H13N3O2S/c1-8-12(9-5-3-2-4-6-9)13-14(20)17-11(7-10(16)19)18-15(13)21-8/h2-6H,7H2,1H3,(H2,16,19)(H,17,18,20)
Stored Murcko scaffold: n1cnc2scc(-c3ccccc3)c2c1

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.

1438367#15092
1944102#15576
26669971#28426
24828528#42045

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 117.34 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 299.349 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.412; 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 · 22402368