Molecule card · MolClass #1955
Cyclopentolate hydrochloride
Cyclopentolate hydrochloride: 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
- Cyclopentolate hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1955
- InChIKey
- SKYSRIRYMSLOIN-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)CCOC(=O)C(c1ccccc1)C2(O)(CCCC2)
- Standard InChI
- InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CC2CCCC2
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.
- 24807190#31005
- 24805150#45291
- 14736346#45659
- 14723553#47873
- Cl.CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1#155110
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
- 49.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.387
- 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.
Flucanozole Synergizer
Dataset #3 · Cyclopentolate hydrochloride