Molecule card · MolClass #36844
17412224
17412224: 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
- 17412224Mitochondrial Fusion · compound_name
- MolClass ID
- 36844
- InChIKey
- FTXMOVCRRBRMPP-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2c(N)nc3OC(COc1ccccc1)Cc3(c2(N))
- Standard InChI
- InChI=1S/C15H14N4O2/c16-7-12-13(17)11-6-10(21-15(11)19-14(12)18)8-20-9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H4,17,18,19)
- Stored Murcko scaffold
- n1cccc2c1OC(COc3ccccc3)C2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.84
- 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 · 17412224