Structure of molecule 1867

Molecule card · MolClass #1867

Carteolol hydrochloride

Carteolol hydrochloride: 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
Carteolol hydrochlorideFlucanozole Synergizer · compound_name
56463040Antifungal Pump Inhibitors · compound_name
MolClass ID
1867
InChIKey
LWAFSWPYPHEXKX-UHFFFAOYSA-N
Canonical SMILES
CC(C)(C)NCC(O)COc2cccc1NC(=O)CCc12
Standard InChI
InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
Stored Murcko scaffold
c1ccc2c(c1)N[CH]CC2

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
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
3
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
70.59 Ų
CDK 2.12 · 2026-08-19
Molecular weight
292.374 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.109
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 · Carteolol hydrochloride

  • Antifungal Pump Inhibitors

    Dataset #18 · 56463040