Molecule card · MolClass #41435
24837969
24837969: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24837969Mitochondrial Fusion · compound_name
- MolClass ID
- 41435
- InChIKey
- RLARHNNBGOTFRP-UHFFFAOYSA-N
- Canonical SMILES
- CCc3nnc(NC(=O)C=1CCC(=O)N(N=1)C2CCS(=O)(=O)C2)s3
- Standard InChI
- InChI=1S/C13H17N5O4S2/c1-2-10-15-16-13(23-10)14-12(20)9-3-4-11(19)18(17-9)8-5-6-24(21,22)7-8/h8H,2-7H2,1H3,(H,14,16,20)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]C2=NN([CH]CC2)C3CSCC3
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
- 9
- 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
- 158.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.531
- 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 · 24837969