Molecule card · MolClass #24799
C155-0360
C155-0360: 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
- C155-0360Compound aggregation · compound_name
- MolClass ID
- 24799
- InChIKey
- GYODVXDTERASEQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CC(NC(=O)C1CCCCC1)C(=O)Nc2cc(C)cc(C)c2
- Standard InChI
- InChI=1S/C21H32N2O2/c1-14(2)10-19(23-20(24)17-8-6-5-7-9-17)21(25)22-18-12-15(3)11-16(4)13-18/h11-14,17,19H,5-10H2,1-4H3,(H,22,25)(H,23,24)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CN[CH]C2CCCCC2
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.196
- 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 · C155-0360