Molecule card · MolClass #1689

Ciclopirox ethanolamine

Ciclopirox ethanolamine: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: Ciclopirox ethanolamineFlucanozole Synergizer · compound_name
MolClass ID: 1689
InChIKey: SCKYRAXSEDYPSA-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=O)N(O)C(=C1)C2CCCCC2
Standard InChI: InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
Stored Murcko scaffold: n1ccccc1C2CCCCC2

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.

CC1=CC(=O)N(O)C(=C1)C1CCCCC1.NCCO#155384

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 40.54 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 207.269 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.313; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Ciclopirox ethanolamine
BetaCell Transdifferentiation
Dataset #11 · 1309