Molecule card · MolClass #39381
24800621
24800621: 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
- 24800621Mitochondrial Fusion · compound_name
- MolClass ID
- 39381
- InChIKey
- OTWHOJSEKJXWRQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C)n(CCNC(=O)CC2C(=O)NCCN2(CC1CCCCC1))n3
- Standard InChI
- InChI=1S/C20H33N5O2/c1-15-12-16(2)25(23-15)11-9-21-19(26)13-18-20(27)22-8-10-24(18)14-17-6-4-3-5-7-17/h12,17-18H,3-11,13-14H2,1-2H3,(H,21,26)(H,22,27)
- Stored Murcko scaffold
- n1cccn1CCN[CH]CC2[CH]NCCN2CC3CCCCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.509 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.707
- 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 · 24800621