Molecule card · MolClass #38770
7968414
7968414: 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
- 7968414Mitochondrial Fusion · compound_name
- MolClass ID
- 38770
- InChIKey
- BBNANEGZNRVYTF-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1N4C(=O)C2CCCN2C4(c3ccc(F)c(F)c3))Cl
- Standard InChI
- InChI=1S/C19H17ClF2N2O2/c1-26-17-7-5-12(20)10-16(17)24-18(11-4-6-13(21)14(22)9-11)23-8-2-3-15(23)19(24)25/h4-7,9-10,15,18H,2-3,8H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3N(CCC3)C2c4ccccc4
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 32.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.801 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.151
- 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 · 7968414