Molecule card · MolClass #17495
1920099
1920099: 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
- MolClass ID
- 17495
- InChIKey
- RPOOBTYCPXMBNZ-PKNBQFBNSA-N
- Canonical SMILES
- CC23(CN1CCN(CC(C1)C2(=NO))C3)
- Standard InChI
- InChI=1S/C10H17N3O/c1-10-6-12-2-3-13(7-10)5-8(4-12)9(10)11-14/h8,14H,2-7H2,1H3/b11-9+
- Stored Murcko scaffold
- [CH]1C2CN3CCN(C2)CC1C3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 195.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.895
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1920099