Molecule card · MolClass #51970
7974850
7974850: 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
- 7974850Mitochondrial Fusion · compound_name
- MolClass ID
- 51970
- InChIKey
- IQQSCPCAVCUOKU-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(=O)N1CCC(CC1)CNC=C4C(=O)N(C2CCCCC2)C(=O)N(C3CCCCC3)C4(=O)
- Standard InChI
- InChI=1S/C27H42N4O4/c1-19(2)24(32)29-15-13-20(14-16-29)17-28-18-23-25(33)30(21-9-5-3-6-10-21)27(35)31(26(23)34)22-11-7-4-8-12-22/h18-22,28H,3-17H2,1-2H3
- Stored Murcko scaffold
- [N]1CCC(CNC=C2[CH]N([CH]N([CH]2)C3CCCCC3)C4CCCCC4)CC1
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
- 8
- 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
- 90.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 486.648 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.434
- 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 · 7974850