Molecule card · MolClass #40634
24781853
24781853: 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
- 24781853Mitochondrial Fusion · compound_name
- MolClass ID
- 40634
- InChIKey
- FPCAZTVRPKPISR-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)C4CC(=O)NC3=C4(C(=O)N=C2C(C)=CC=CN23)
- Standard InChI
- InChI=1S/C20H19N3O2/c1-3-13-6-8-14(9-7-13)15-11-16(24)21-19-17(15)20(25)22-18-12(2)5-4-10-23(18)19/h4-10,15H,3,11H2,1-2H3,(H,21,24)
- Stored Murcko scaffold
- N=1[CH]C2=C(N[CH]CC2c3ccccc3)N4C=CC=CC14
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.
- 24813103#32856
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.001
- 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 · 24781853