Molecule card · MolClass #24934
5607-0310
5607-0310: 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
- 5607-0310Compound aggregation · compound_name
- MolClass ID
- 24934
- InChIKey
- KXGMNHNWWDFSBZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(CN1CCC(CC1)N2CCOCC2)
- Standard InChI
- InChI=1S/C17H26N2O/c1-15-4-2-3-5-16(15)14-18-8-6-17(7-9-18)19-10-12-20-13-11-19/h2-5,17H,6-14H2,1H3
- Stored Murcko scaffold
- O1CCN(CC1)C2CCN(Cc3ccccc3)CC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 15.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.206
- 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.
Compound aggregation
Dataset #16 · 5607-0310