Molecule card · MolClass #38925

24818254

24818254: 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: 24818254Mitochondrial Fusion · compound_name
MolClass ID: 38925
InChIKey: BHGFGSXNBMAVTI-UHFFFAOYSA-N
Canonical SMILES: CC(C)N(C)C(=O)C(=O)c1cccn1c2cccc(c2(C#N))Cl
Standard InChI: InChI=1S/C17H16ClN3O2/c1-11(2)20(3)17(23)16(22)15-8-5-9-21(15)14-7-4-6-13(18)12(14)10-19/h4-9,11H,1-3H3
Stored Murcko scaffold: c1ccc(cc1)-n2cccc2

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.

1984148#15255
2070501#15849
2075302#16722
1569551#17242
2070078#17435
1948061#18007
14734873#27307
24782410#27811
17409803#28810
14733057#29623
26728398#29745
7977179#30800
24821736#30888
7972344#31402
847205#32502
24818315#32548
22404246#32638
17508950#33485
847834#37534
14737429#39219

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.1 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 329.781 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.091; 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 · 24818254