Structure of molecule 45570

Molecule card · MolClass #45570

7974281

7974281: 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
7974281Mitochondrial Fusion · compound_name
MolClass ID
45570
InChIKey
OMDOANCHDHLPKH-UHFFFAOYSA-N
Canonical SMILES
Cc5ccnc1c5(cccc1N3C(=O)C4C2C=CC(C2)C4(C3(=O)))
Standard InChI
InChI=1S/C19H16N2O2/c1-10-7-8-20-17-13(10)3-2-4-14(17)21-18(22)15-11-5-6-12(9-11)16(15)19(21)23/h2-8,11-12,15-16H,9H2,1H3
Stored Murcko scaffold
n1cccc2cccc(c12)N3[CH]C4C5C=CC(C5)C4[CH]3

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
0
CDK 2.12 · 2026-08-19
Rotatable bonds
1
CDK 2.12 · 2026-08-19
Topological polar surface area
50.27 Ų
CDK 2.12 · 2026-08-19
Molecular weight
304.343 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.245
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 · 7974281