Molecule card · MolClass #39808
7967881
7967881: 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
- 7967881Mitochondrial Fusion · compound_name
- MolClass ID
- 39808
- InChIKey
- MNKCRVFCVZMIMS-UHFFFAOYSA-N
- Canonical SMILES
- Cn5cc(C2NC(=O)c3c1CCCCc1sc3(N2))c4ccccc45
- Standard InChI
- InChI=1S/C19H19N3OS/c1-22-10-13(11-6-2-4-8-14(11)22)17-20-18(23)16-12-7-3-5-9-15(12)24-19(16)21-17/h2,4,6,8,10,17,21H,3,5,7,9H2,1H3,(H,20,23)
- Stored Murcko scaffold
- s1c2NC(N[CH]c2c3c1CCCC3)c4c[nH]c5ccccc54
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.49
- 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 · 7967881