Molecule card · MolClass #48162
24841752
24841752: 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
- 24841752Mitochondrial Fusion · compound_name
- MolClass ID
- 48162
- InChIKey
- FLFKTLSNBXYGDM-NSOVKSMOSA-N
- Canonical SMILES
- CN(CC(Cc1ccccc1)N(CC(Cc2ccccc2)N(CC3(CC3)c4ccccc4)N=O)N=O)N=O
- Standard InChI
- InChI=1S/C29H34N6O3/c1-33(30-36)21-27(19-24-11-5-2-6-12-24)34(31-37)22-28(20-25-13-7-3-8-14-25)35(32-38)23-29(17-18-29)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3/t27-,28-/m0/s1
- Stored Murcko scaffold
- c1ccc(cc1)CCNCC(NCC2(c3ccccc3)CC2)Cc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 16
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 514.62 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.587
- 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 · 24841752