Molecule card · MolClass #48446
14735508
14735508: 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
- 14735508Mitochondrial Fusion · compound_name
- MolClass ID
- 48446
- InChIKey
- GOCAPSRBFPHRLB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CNC(=O)c4cc3C(=O)N(C)c2ccccc2c3n4(C)
- Standard InChI
- InChI=1S/C22H21N3O2/c1-14-8-10-15(11-9-14)13-23-21(26)19-12-17-20(24(19)2)16-6-4-5-7-18(16)25(3)22(17)27/h4-12H,13H2,1-3H3,(H,23,26)
- Stored Murcko scaffold
- n1cc2cc([CH]NCc3ccccc3)[nH]c2c4ccccc14
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.809
- 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 · 14735508