Molecule card · MolClass #41601
14727967
14727967: 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
- 14727967Mitochondrial Fusion · compound_name
- MolClass ID
- 41601
- InChIKey
- VXRZBQITVVTSGH-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)COc1ccc(cc12)C(=O)c7oc3ccccc3c7(c6cnc5c(COc4ccccc45)c6)
- Standard InChI
- InChI=1S/C30H20N2O5/c1-32-22-13-17(10-11-25(22)36-16-26(32)33)29(34)30-27(20-6-2-5-9-24(20)37-30)18-12-19-15-35-23-8-4-3-7-21(23)28(19)31-14-18/h2-14H,15-16H2,1H3
- Stored Murcko scaffold
- n1cc(cc2c1-c3ccccc3OC2)-c4c(oc5ccccc54)[CH]c6ccc7OC[CH][N]c7c6
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 488.491 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.643
- 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 · 14727967