Molecule card · MolClass #38157
14738265
14738265: 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
- 14738265Mitochondrial Fusion · compound_name
- MolClass ID
- 38157
- InChIKey
- SZTBJCOMAMENNP-BOPFTXTBSA-N
- Canonical SMILES
- CCNC(=O)C=C1NC(C)(C)Cc2c3ccccc3(ccc12)
- Standard InChI
- InChI=1S/C19H22N2O/c1-4-20-18(22)11-17-15-10-9-13-7-5-6-8-14(13)16(15)12-19(2,3)21-17/h5-11,21H,4,12H2,1-3H3,(H,20,22)/b17-11-
- Stored Murcko scaffold
- c1ccc2c(c1)ccc3[CH]NCCc32
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.
- 1980484#17219
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.511
- 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 · 14738265