Molecule card · MolClass #44772
7966183
7966183: 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
- 7966183Mitochondrial Fusion · compound_name
- MolClass ID
- 44772
- InChIKey
- SVRGHVBJJHJVTD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCCN4C(=O)c1c(ccs1)N(CC2=CC(=O)N3C=CC=CC3(=N2))C4(=O))NCc5ccco5
- Standard InChI
- InChI=1S/C24H21N5O5S/c30-20(25-14-17-5-4-11-34-17)7-3-10-28-23(32)22-18(8-12-35-22)29(24(28)33)15-16-13-21(31)27-9-2-1-6-19(27)26-16/h1-2,4-6,8-9,11-13H,3,7,10,14-15H2,(H,25,30)
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]C=C1CN3[CH]N([CH]c4sccc43)CCC[CH]NCc5occc5
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 143.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 491.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.33
- 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 · 7966183