Molecule card · MolClass #48888
24841717
24841717: 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
- 24841717Mitochondrial Fusion · compound_name
- MolClass ID
- 48888
- InChIKey
- DDNJBOPCKTYBIL-YMVOSSCXSA-N
- Canonical SMILES
- CCCCC4CNC(N4(CCC23(CC1CC(CC(C1)C2)C3)))=S
- Standard InChI
- InChI=1S/C19H32N2S/c1-2-3-4-17-13-20-18(22)21(17)6-5-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3,(H,20,22)/t14?,15?,16?,17-,19?/m1/s1
- Stored Murcko scaffold
- [CH]1NCCN1CCC23CC4CC(CC(C4)C2)C3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.538 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.229
- 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 · 24841717