Molecule card · MolClass #36814
865014
865014: 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
- 865014Mitochondrial Fusion · compound_name
- MolClass ID
- 36814
- InChIKey
- QJYAFSYCZBVBMD-UHFFFAOYSA-N
- Canonical SMILES
- CC=3C=CC4=Nc2c(cc(C(=O)NCC1CCCO1)n2(C))C(=O)N4(C=3)
- Standard InChI
- InChI=1S/C18H20N4O3/c1-11-5-6-15-20-16-13(18(24)22(15)10-11)8-14(21(16)2)17(23)19-9-12-4-3-7-25-12/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,19,23)
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]c3cc([CH]NCC4OCCC4)[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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.993
- 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 · 865014