Molecule card · MolClass #40725
14743154
14743154: 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
- 14743154Mitochondrial Fusion · compound_name
- MolClass ID
- 40725
- InChIKey
- CECYGZSDOZSVJK-UHFFFAOYSA-N
- Canonical SMILES
- Cc5nn3c(nc1CCCc1c3(n2ccnc2(C)))c5(c4ccccc4)
- Standard InChI
- InChI=1S/C20H19N5/c1-13-18(15-7-4-3-5-8-15)19-22-17-10-6-9-16(17)20(25(19)23-13)24-12-11-21-14(24)2/h3-5,7-8,11-12H,6,9-10H2,1-2H3
- Stored Murcko scaffold
- n1ccn(c1)-c2c3c(nc4c(cnn42)-c5ccccc5)CCC3
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.
- 865354#29231
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.701
- 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 · 14743154