Structure of molecule 38769

Molecule card · MolClass #38769

22404006

22404006: 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
22404006Mitochondrial Fusion · compound_name
MolClass ID
38769
InChIKey
YUTZVOITBDTOJK-ZIAGYGMSSA-N
Canonical SMILES
CCOC(=O)N2C=CC=CC1C(C(=O)N12)N3C(=O)c4ccccc4(C3(=O))
Standard InChI
InChI=1S/C18H15N3O5/c1-2-26-18(25)19-10-6-5-9-13-14(17(24)21(13)19)20-15(22)11-7-3-4-8-12(11)16(20)23/h3-10,13-14H,2H2,1H3/t13-,14-/m1/s1
Stored Murcko scaffold
[N]1C=CC=CC2N1[CH]C2n3cc4ccccc4c3

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
8
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
87.23 Ų
CDK 2.12 · 2026-08-19
Molecular weight
353.329 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.062
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 · 22404006