Molecule card · MolClass #40591
24809301
24809301: 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
- 24809301Mitochondrial Fusion · compound_name
- MolClass ID
- 40591
- InChIKey
- DXEIEBNCIPTQFP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2nc(N=C(N)N)nc(C)c2(c1)
- Standard InChI
- InChI=1S/C11H13N5/c1-6-3-4-9-8(5-6)7(2)14-11(15-9)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
- Stored Murcko scaffold
- n1cnc2ccccc2c1
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.
View all molecules with this 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
- 90.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 215.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.148
- 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 · 24809301