Molecule card · MolClass #52346
861858
861858: 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
- 861858Mitochondrial Fusion · compound_name
- MolClass ID
- 52346
- InChIKey
- FGOWLCPLIAQZBO-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCn2c(nc1c2(C(=O)NC(=O)N1(C)))N3CCN(CC3)c4cccc(c4)Cl
- Standard InChI
- InChI=1S/C21H27ClN6O2/c1-14(2)7-8-28-17-18(25(3)21(30)24-19(17)29)23-20(28)27-11-9-26(10-12-27)16-6-4-5-15(22)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,24,29,30)
- Stored Murcko scaffold
- [N]1[CH]N[CH]c2[nH]c(nc12)N3CCN(c4ccccc4)CC3
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
- 7
- 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
- 73.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.932 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.937
- 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 · 861858