Structure of molecule 24868

Molecule card · MolClass #24868

K786-8300

K786-8300: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
K786-8300Compound aggregation · compound_name
MolClass ID
24868
InChIKey
QVSQVNLWQRLOSK-UHFFFAOYSA-N
Canonical SMILES
CC(C)CCNC(=O)C2CC(=O)N(CCc1ccc(C)cc1)C2
Standard InChI
InChI=1S/C19H28N2O2/c1-14(2)8-10-20-19(23)17-12-18(22)21(13-17)11-9-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,23)
Stored Murcko scaffold
c1ccc(cc1)CCN2[CH]CCC2

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
1
CDK 2.12 · 2026-08-19
Rotatable bonds
8
CDK 2.12 · 2026-08-19
Topological polar surface area
49.41 Ų
CDK 2.12 · 2026-08-19
Molecular weight
316.439 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.835
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 aggregation

    Dataset #16 · K786-8300