Molecule card · MolClass #38390
7973480
7973480: 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
- 7973480Mitochondrial Fusion · compound_name
- MolClass ID
- 38390
- InChIKey
- GCADTYLJGLGURF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nccn1c4c5CCCc5(c(C#N)c3nc2ccccc2n34)
- Standard InChI
- InChI=1S/C19H15N5/c1-12-21-9-10-23(12)19-14-6-4-5-13(14)15(11-20)18-22-16-7-2-3-8-17(16)24(18)19/h2-3,7-10H,4-6H2,1H3
- Stored Murcko scaffold
- n1ccn(c1)-c2c3c(cc4nc5ccccc5n42)CCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.467
- 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 · 7973480