Molecule card · MolClass #24977
C320-0283
C320-0283: 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
- C320-0283Compound aggregation · compound_name
- MolClass ID
- 24977
- InChIKey
- BHROGLIPRMCBST-UHFFFAOYSA-N
- Canonical SMILES
- Cn3cc(CC(=O)NCCCN1CCOCC1)c2ccccc23
- Standard InChI
- InChI=1S/C18H25N3O2/c1-20-14-15(16-5-2-3-6-17(16)20)13-18(22)19-7-4-8-21-9-11-23-12-10-21/h2-3,5-6,14H,4,7-13H2,1H3,(H,19,22)
- Stored Murcko scaffold
- O1CCN(CC1)CCCN[CH]Cc2c[nH]c3ccccc32
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.462
- 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 · C320-0283