Molecule card · MolClass #46387
14738070
14738070: 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
- 14738070Mitochondrial Fusion · compound_name
- MolClass ID
- 46387
- InChIKey
- VHSVYPARSNMOEX-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C=4C(=O)C(=O)C=4(NCC2CCC(CC2)C(=O)N3CCCC(C)C3)
- Standard InChI
- InChI=1S/C24H37N3O3/c1-16-9-12-26(13-10-16)21-20(22(28)23(21)29)25-14-18-5-7-19(8-6-18)24(30)27-11-3-4-17(2)15-27/h16-19,25H,3-15H2,1-2H3
- Stored Murcko scaffold
- [CH]1[CH]C(=C1NCC2CCC([CH]N3CCCCC3)CC2)N4CCCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.57 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.883
- 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 · 14738070