Molecule card · MolClass #47134
864819
864819: 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
- 864819Mitochondrial Fusion · compound_name
- MolClass ID
- 47134
- InChIKey
- RGMLPLCSNQEKLO-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCNc1nc(c2CN(C)CCc2(c1(C#N)))N3CCCC3
- Standard InChI
- InChI=1S/C19H29N5/c1-14(2)6-8-21-18-16(12-20)15-7-11-23(3)13-17(15)19(22-18)24-9-4-5-10-24/h14H,4-11,13H2,1-3H3,(H,21,22)
- Stored Murcko scaffold
- n1ccc2c(c1N3CCCC3)CNCC2
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.
- 856765#41455
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.468 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.885
- 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 · 864819