Molecule card · MolClass #1152
LOPAC 01341
LOPAC 01341: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- S(-)-UH-301 hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_nameR(+)-UH-301 hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 1152
- InChIKey
- FNKBVTBXFLSTPB-UHFFFAOYSA-N
- Canonical SMILES
- [H]C1(CCc2c(F)ccc(O)c2(C1))N(CCC)CCC
- Standard InChI
- InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3
- Stored Murcko scaffold
- c1ccc2c(c1)CCCC2
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.
- LOPAC 00256#366
- LOPAC 00967#512
- LOPAC 00536#518
- nadolol#1244
- 21145-77-7#2487
- NOCAS_M277#5170
- 119-64-2#5881
- 42200-33-9#7517
- 11957726#9431
- 11957570#9461
- 11957554#9465
- 10236521#9510
- 49674672#25815
- 24835144#40620
- 24801321#42571
- 24818726#44178
- Br.NC1CCc2cc(O)c(O)cc2C1#153715
- Br.CCCN(CCC)C1CCc2ccc(O)cc2C1#153746
- Br.CCCN(CCC)C1CCc2cccc(O)c2C1#153836
- Cl.CCCN(CCC)C1CCc2c(F)ccc(O)c2C1#153848
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.489
- 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 induced Neuronal Stem Cell Differentiation
Dataset #1 · 1194
Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 1204