Molecule card · MolClass #51536
14738475
14738475: 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
- 14738475Mitochondrial Fusion · compound_name
- MolClass ID
- 51536
- InChIKey
- JDYLCZSLBPZEJU-UHFFFAOYSA-N
- Canonical SMILES
- COc3cc4NC(=O)N(CCC(=O)N1CCC(CC1)N2CCCCC2)C(=O)c4(cc3(OC))
- Standard InChI
- InChI=1S/C23H32N4O5/c1-31-19-14-17-18(15-20(19)32-2)24-23(30)27(22(17)29)13-8-21(28)26-11-6-16(7-12-26)25-9-4-3-5-10-25/h14-16H,3-13H2,1-2H3,(H,24,30)
- Stored Murcko scaffold
- c1ccc2N[CH]N([CH]c2c1)CC[CH]N3CCC(N4CCCCC4)CC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 444.525 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.917
- 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 · 14738475