Molecule card · MolClass #35943
17511128
17511128: 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
- 17511128Mitochondrial Fusion · compound_name
- MolClass ID
- 35943
- InChIKey
- GZVFZPGZRQTPNH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C2=NNC3C(=O)N(c1ccccc1)C(=O)C23)c4nc(ccc4Cl)Cl
- Standard InChI
- InChI=1S/C17H10Cl2N4O3/c18-9-6-7-10(19)20-12(9)15(24)13-11-14(22-21-13)17(26)23(16(11)25)8-4-2-1-3-5-8/h1-7,11,14,22H
- Stored Murcko scaffold
- n1ccccc1[CH]C2=NNC3[CH]N([CH]C23)c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.193 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.142
- 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 · 17511128