Molecule card · MolClass #40375
14719154
14719154: 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
- 14719154Mitochondrial Fusion · compound_name
- MolClass ID
- 40375
- InChIKey
- QODBNTZZNYNGQG-UHFFFAOYSA-N
- Canonical SMILES
- CC4=C(N=C3NC1(CCCCC1)Cc2ccccc23)C(=O)N(C)N4c5ccccc5
- Standard InChI
- InChI=1S/C25H28N4O/c1-18-22(24(30)28(2)29(18)20-12-5-3-6-13-20)26-23-21-14-8-7-11-19(21)17-25(27-23)15-9-4-10-16-25/h3,5-8,11-14H,4,9-10,15-17H2,1-2H3,(H,26,27)
- Stored Murcko scaffold
- n1cc(N=C2NC3(Cc4ccccc24)CCCCC3)cn1-c5ccccc5
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.639
- 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 · 14719154