Structure of molecule 37433

Molecule card · MolClass #37433

24819150

24819150: 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
24819150Mitochondrial Fusion · compound_name
MolClass ID
37433
InChIKey
WXBBPTBNJLNSFC-UHFFFAOYSA-N
Canonical SMILES
OC=2CC(c1c(F)cccc1Cl)C(C(=O)C=2C4NCCc3ccccc34)n5cncn5
Standard InChI
InChI=1S/C23H20ClFN4O2/c24-16-6-3-7-17(25)19(16)15-10-18(30)20(23(31)22(15)29-12-26-11-28-29)21-14-5-2-1-4-13(14)8-9-27-21/h1-7,11-12,15,21-22,27,30H,8-10H2
Stored Murcko scaffold
n1cnn(c1)C2[CH]C(=CCC2c3ccccc3)C4NCCc5ccccc54

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
2
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
80.04 Ų
CDK 2.12 · 2026-08-19
Molecular weight
438.883 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.707
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.

  • Mitochondrial Fusion

    Dataset #19 · 24819150