Molecule card · MolClass #36907
24821210
24821210: 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
- 24821210Mitochondrial Fusion · compound_name
- MolClass ID
- 36907
- InChIKey
- SIEVSHLBDITTKF-FRKPEAEDSA-N
- Canonical SMILES
- CC(=NNC(=O)c1cccnc1)c2nnn(c2(C))c3nonc3(N)
- Standard InChI
- InChI=1S/C13H13N9O2/c1-7(16-18-13(23)9-4-3-5-15-6-9)10-8(2)22(21-17-10)12-11(14)19-24-20-12/h3-6H,1-2H3,(H2,14,19)(H,18,23)/b16-7+
- Stored Murcko scaffold
- n1nn(cc1C=NN[CH]c2cnccc2)-c3nonc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 150 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.491
- 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 · 24821210