Molecule card · MolClass #41822
7969547
7969547: 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
- 7969547Mitochondrial Fusion · compound_name
- MolClass ID
- 41822
- InChIKey
- XVOMWQBWVKGUJK-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CC=CN3C(=O)c4cc(C(=O)NCCCN1CCOCC1)n(C)c4(N=C23)
- Standard InChI
- InChI=1S/C20H25N5O3/c1-14-5-3-8-25-17(14)22-18-15(20(25)27)13-16(23(18)2)19(26)21-6-4-7-24-9-11-28-12-10-24/h3,5,8,13H,4,6-7,9-12H2,1-2H3,(H,21,26)
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]c3cc([CH]NCCCN4CCOCC4)[nH]c13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.445 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.451
- 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 · 7969547