Structure of molecule 44297

Molecule card · MolClass #44297

7967499

7967499: 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
7967499Mitochondrial Fusion · compound_name
MolClass ID
44297
InChIKey
BJFVXFKBLJNOFG-UHFFFAOYSA-N
Canonical SMILES
CCOC(=O)N1CCC(CC1)NC(=O)Cn2cc3CCCCc3(n2)
Standard InChI
InChI=1S/C17H26N4O3/c1-2-24-17(23)20-9-7-14(8-10-20)18-16(22)12-21-11-13-5-3-4-6-15(13)19-21/h11,14H,2-10,12H2,1H3,(H,18,22)
Stored Murcko scaffold
n1c2c(cn1C[CH]NC3CC[N]CC3)CCCC2

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
1
CDK 2.12 · 2026-08-19
Rotatable bonds
7
CDK 2.12 · 2026-08-19
Topological polar surface area
76.46 Ų
CDK 2.12 · 2026-08-19
Molecular weight
334.414 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.483
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 · 7967499