Molecule card · MolClass #52011

7970525

7970525: 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: 7970525Mitochondrial Fusion · compound_name
MolClass ID: 52011
InChIKey: ZFFFKQAKRBWBMF-UHFFFAOYSA-N
Canonical SMILES: CCCCCn2c(nc1c2(C(=O)NC(=O)N1(C)))N3CCC(CC3)Cc4ccccc4
Standard InChI: InChI=1S/C23H31N5O2/c1-3-4-8-13-28-19-20(26(2)23(30)25-21(19)29)24-22(28)27-14-11-18(12-15-27)16-17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3,(H,25,29,30)
Stored Murcko scaffold: [N]1[CH]N[CH]c2[nH]c(nc12)N3CCC(Cc4ccccc4)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.

864398#52304
864231#52306

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: 70.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 409.525 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.262; 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 · 7970525