Structure of molecule 43193

Molecule card · MolClass #43193

7967152

7967152: 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
7967152Mitochondrial Fusion · compound_name
MolClass ID
43193
InChIKey
XZWYNYPNINPTAZ-SZXQPVLSSA-N
Canonical SMILES
Cc4cccc(CCNC(=O)C1CCC(CC1)CN=C2C(=O)C(O)=C2N3CCCC3)c4
Standard InChI
InChI=1S/C25H33N3O3/c1-17-5-4-6-18(15-17)11-12-26-25(31)20-9-7-19(8-10-20)16-27-21-22(24(30)23(21)29)28-13-2-3-14-28/h4-6,15,19-20,30H,2-3,7-14,16H2,1H3,(H,26,31)/b27-21+
Stored Murcko scaffold
N(=C1[CH]C=C1N2CCCC2)CC3CCC([CH]NCCc4ccccc4)CC3

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
8
CDK 2.12 · 2026-08-19
Topological polar surface area
82 Ų
CDK 2.12 · 2026-08-19
Molecular weight
423.549 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.175
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 · 7967152