Molecule card · MolClass #38618
14718699
14718699: 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
- 14718699Mitochondrial Fusion · compound_name
- MolClass ID
- 38618
- InChIKey
- VJCJHSYRRZMOEU-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C=C2N(CCCN2(C(=O)C=1(C#N)))c3cccc(c3)Cl
- Standard InChI
- InChI=1S/C16H14ClN3O/c1-11-8-15-19(13-5-2-4-12(17)9-13)6-3-7-20(15)16(21)14(11)10-18/h2,4-5,8-9H,3,6-7H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)N2C3=CC=C[CH]N3CCC2
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.
- 14718698#28169
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.755 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.219
- 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 · 14718699