Molecule card · MolClass #37415
24708132
24708132: 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
- 24708132Mitochondrial Fusion · compound_name
- MolClass ID
- 37415
- InChIKey
- WVZCGEONMROAPJ-SQJZIBIZSA-N
- Canonical SMILES
- CCC(C)C(N)c1cn(nn1)C(Cc2ccc(O)cc2)C(=O)N3CCNCC3
- Standard InChI
- InChI=1S/C20H30N6O2/c1-3-14(2)19(21)17-13-26(24-23-17)18(12-15-4-6-16(27)7-5-15)20(28)25-10-8-22-9-11-25/h4-7,13-14,18-19,22,27H,3,8-12,21H2,1-2H3/t14?,18-,19-/m0/s1
- Stored Murcko scaffold
- n1nn(cc1)C([CH]N2CCNCC2)Cc3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.128
- 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 · 24708132