Molecule card · MolClass #1220
LOPAC 00137
LOPAC 00137: 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
- Prazosin hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 1220
- InChIKey
- NHAOHVNGIXFYQY-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc2nc(nc(N)c2(cc1(OC)))N3CC=N(CC3)C(=O)c4ccco4
- Standard InChI
- InChI=1S/C19H20N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-5,9-11H,6-8H2,1-2H3,(H2,20,21,22)
- Stored Murcko scaffold
- n1cc2ccccc2nc1N3CC=N([CH]c4occc4)CC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.56
- 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 · 1266