Molecule card · MolClass #41527

17505070

17505070: 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: 17505070Mitochondrial Fusion · compound_name
MolClass ID: 41527
InChIKey: QZTNFEXLVDIXEF-BRSBDYLESA-N
Canonical SMILES: OCCCC(=O)CCCCCCCCCC1NC(CO)C(O)C1(O)
Standard InChI: InChI=1S/C18H35NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h15-21,23-24H,1-13H2/t15-,16-,17-,18-/m1/s1
Stored Murcko scaffold: N1CCCC1

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.

LOPAC 00823#320
LOPAC 00365#328
LOPAC 00371#594
4399-80-8#2979
NOCAS_M153#3002
56222-35-6#3066
123-75-1#3133
173106-65-5#5352
2154-68-9#6632
930-55-2#8459
24867492#9375
11953777#9496
10255#9691
HMDB00725#23956
HMDB02113#24040
HMDB05764#24164
14719311#38180
24809030#39565
24806070#39653
7975283#40608

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 5; CDK 2.12 · 2026-08-19
Rotatable bonds: 14; CDK 2.12 · 2026-08-19
Topological polar surface area: 110.02 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 345.475 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.554; 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 · 17505070