Structure of molecule 43290

Molecule card · MolClass #43290

4244569

4244569: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
4244569Mitochondrial Fusion · compound_name
MolClass ID
43290
InChIKey
SFDLCJVEEGBZRJ-UHFFFAOYSA-N
Canonical SMILES
Cc1cccc(c1)c3nc4NC(C)=C(C(N)=O)C(c2cccnc2)n4(n3)
Standard InChI
InChI=1S/C19H18N6O/c1-11-5-3-6-13(9-11)18-23-19-22-12(2)15(17(20)26)16(25(19)24-18)14-7-4-8-21-10-14/h3-10,16H,1-2H3,(H2,20,26)(H,22,23,24)
Stored Murcko scaffold
n1cccc(c1)C2C=CNc3nc(nn32)-c4ccccc4

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
6
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
98.72 Ų
CDK 2.12 · 2026-08-19
Molecular weight
346.387 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.898
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 · 4244569