Molecule card · MolClass #40928
865210
865210: 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
- 865210Mitochondrial Fusion · compound_name
- MolClass ID
- 40928
- InChIKey
- MYZRMERPEOBWIR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc2nc(nn2(c(C)c1Cl))c3cccnc3
- Standard InChI
- InChI=1S/C12H10ClN5/c1-7-10(13)8(2)18-12(15-7)16-11(17-18)9-4-3-5-14-6-9/h3-6H,1-2H3
- Stored Murcko scaffold
- n1cccc(c1)-c2nc3ncccn3n2
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.
- 865185#30150
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.695 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.946
- 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 · 865210