Molecule card · MolClass #51615

14733013

14733013: 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: 14733013Mitochondrial Fusion · compound_name
MolClass ID: 51615
InChIKey: HFLTZGDWQGFSEH-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)N1CCC(CC1)N4Cc3cccc(C(=O)Nc2ccc(CC)cc2)c3C4(=O)
Standard InChI: InChI=1S/C25H29N3O4/c1-3-17-8-10-19(11-9-17)26-23(29)21-7-5-6-18-16-28(24(30)22(18)21)20-12-14-27(15-13-20)25(31)32-4-2/h5-11,20H,3-4,12-16H2,1-2H3,(H,26,29)
Stored Murcko scaffold: [N]1CCC(N2[CH]c3c(cccc3C2)[CH]Nc4ccccc4)CC1

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 78.95 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 435.516 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.908; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14733013