Molecule card · MolClass #38778
14740303
14740303: 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
- 14740303Mitochondrial Fusion · compound_name
- MolClass ID
- 38778
- InChIKey
- VVVYZJBMPNOAQU-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc5c(cc1(OC))C7(Nc4c5(c(Cc2ccccc2)nn4(c3ccccc3)))(C(=O)Nc6ccccc67)
- Standard InChI
- InChI=1S/C32H26N4O3/c1-38-27-18-22-24(19-28(27)39-2)32(23-15-9-10-16-25(23)33-31(32)37)34-30-29(22)26(17-20-11-5-3-6-12-20)35-36(30)21-13-7-4-8-14-21/h3-16,18-19,34H,17H2,1-2H3,(H,33,37)
- Stored Murcko scaffold
- n1c(c2-c3ccccc3C4([CH]Nc5ccccc54)Nc2n1-c6ccccc6)Cc7ccccc7
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 514.575 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.374
- 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 · 14740303