Molecule card · MolClass #38504
17407025
17407025: 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
- 17407025Mitochondrial Fusion · compound_name
- MolClass ID
- 38504
- InChIKey
- QYCKEESGTNXTQI-MRXNPFEDSA-N
- Canonical SMILES
- CCCCn2nc1cc(ccc1c2(OCC))C(=O)NC(C)C3CCCCC3
- Standard InChI
- InChI=1S/C22H33N3O2/c1-4-6-14-25-22(27-5-2)19-13-12-18(15-20(19)24-25)21(26)23-16(3)17-10-8-7-9-11-17/h12-13,15-17H,4-11,14H2,1-3H3,(H,23,26)/t16-/m1/s1
- Stored Murcko scaffold
- n1[nH]cc2ccc([CH]NCC3CCCCC3)cc12
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.
- 17407014#37061
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.755
- 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 · 17407025