Molecule card · MolClass #51585
14735516
14735516: 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
- 14735516Mitochondrial Fusion · compound_name
- MolClass ID
- 51585
- InChIKey
- OCRFCYGZZDMQJA-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nc4c(c(C)nn4(c(C)c3(CCC(=O)N1CCC(CC1)Cc2ccccc2)))c5ccc(F)cc5
- Standard InChI
- InChI=1S/C30H33FN4O/c1-20-27(13-14-28(36)34-17-15-24(16-18-34)19-23-7-5-4-6-8-23)22(3)35-30(32-20)29(21(2)33-35)25-9-11-26(31)12-10-25/h4-12,24H,13-19H2,1-3H3
- Stored Murcko scaffold
- n1cc(cn2ncc(-c3ccccc3)c12)CC[CH]N4CCC(Cc5ccccc5)CC4
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 484.609 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.714
- 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 · 14735516