Structure of molecule 11356

Molecule card · MolClass #11356

1913278

1913278: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

3 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
17514238Antifungal Pump Inhibitors · compound_name
17514238Mitochondrial Fusion · compound_name
MolClass ID
11356
InChIKey
CLQPRFRZKLHZSC-UHFFFAOYSA-N
Canonical SMILES
CCCC(C)C1(CC)(C(=N)NC(=O)NC1(=O))
Standard InChI
InChI=1S/C11H19N3O2/c1-4-6-7(3)11(5-2)8(12)13-10(16)14-9(11)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16)
Stored Murcko scaffold
[CH]1N[CH]C[CH]N1

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
3
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
82.05 Ų
CDK 2.12 · 2026-08-19
Molecular weight
225.288 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.485
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.

  • Chembank Cell Cycle Inhibitor Screen

    Dataset #10 · 1913278

  • Antifungal Pump Inhibitors

    Dataset #18 · 17514238

  • Mitochondrial Fusion

    Dataset #19 · 17514238