Molecule card · MolClass #44560

7965461

7965461: 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: 7965461Mitochondrial Fusion · compound_name
MolClass ID: 44560
InChIKey: QOSIFLWPBHDLAP-UHFFFAOYSA-N
Canonical SMILES: CCCCN(CC)CCNC(=O)c3cc2C(=O)N(C)c1ccccc1c2n3(C)
Standard InChI: InChI=1S/C22H30N4O2/c1-5-7-13-26(6-2)14-12-23-21(27)19-15-17-20(24(19)3)16-10-8-9-11-18(16)25(4)22(17)28/h8-11,15H,5-7,12-14H2,1-4H3,(H,23,27)
Stored Murcko scaffold: n1cc2cc[nH]c2c3ccccc13

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.

49679824#28654
7966779#40494
7966449#41523
7966828#41597
7968454#41759
7965163#44561
7964963#45107
7968816#48080
24814570#48444

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.58 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 382.5 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.288; 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 · 7965461