Molecule card · MolClass #18010
3024457
3024457: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 842955Mitochondrial Fusion · compound_name
- MolClass ID
- 18010
- InChIKey
- YNNMFPKTGNGOMS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N3C(N)=NC(N)=NC23(CCCCC2)
- Standard InChI
- InChI=1S/C15H21N5/c1-11-6-5-7-12(10-11)20-14(17)18-13(16)19-15(20)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H4,16,17,18,19)
- Stored Murcko scaffold
- N=1C=NC2(N(C1)c3ccccc3)CCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.627
- 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.
Auto-fluorescence Prediction
Dataset #13 · 3024457
Mitochondrial Fusion
Dataset #19 · 842955