Molecule card · MolClass #39517
24811000
24811000: 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
- 24811000Mitochondrial Fusion · compound_name
- MolClass ID
- 39517
- InChIKey
- YJLMWNONTVTPLE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccn3c(c1)nc(C)c3(C(=O)NN=C2CCN(C)CC2)
- Standard InChI
- InChI=1S/C16H21N5O/c1-11-4-9-21-14(10-11)17-12(2)15(21)16(22)19-18-13-5-7-20(3)8-6-13/h4,9-10H,5-8H2,1-3H3,(H,19,22)
- Stored Murcko scaffold
- n1cc([CH]NN=C2CCNCC2)n3ccccc13
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.
- 24824659#42468
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.427
- 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 · 24811000