Structure of molecule 18350

Molecule card · MolClass #18350

1168349

1168349: 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
24820838Mitochondrial Fusion · compound_name
MolClass ID
18350
InChIKey
ZQVGQBGNWOWBKU-UHFFFAOYSA-N
Canonical SMILES
O=C4c1cccnc1N(c2ccccc2)N4(Cc3c(cccc3Cl)Cl)
Standard InChI
InChI=1S/C19H13Cl2N3O/c20-16-9-4-10-17(21)15(16)12-23-19(25)14-8-5-11-22-18(14)24(23)13-6-2-1-3-7-13/h1-11H,12H2
Stored Murcko scaffold
n1cccc2[CH]N(N(c3ccccc3)c12)Cc4ccccc4

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
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
29.96 Ų
CDK 2.12 · 2026-08-19
Molecular weight
370.233 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.174
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.

  • Auto-fluorescence Prediction

    Dataset #13 · 1168349

  • Mitochondrial Fusion

    Dataset #19 · 24820838