Molecule card · MolClass #38324

14744500

14744500: 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: 14744500Mitochondrial Fusion · compound_name
MolClass ID: 38324
InChIKey: JXKMRHFSMKUTTP-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)c2cnnn2(c1ccc(cc1)C(=O)CCl)
Standard InChI: InChI=1S/C14H16ClN3O/c1-14(2,3)13-9-16-17-18(13)11-6-4-10(5-7-11)12(19)8-15/h4-7,9H,8H2,1-3H3
Stored Murcko scaffold: n1nn(cc1)-c2ccccc2

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.

3652483#12347
1940656#15458
3123907#16539
1953717#17201
14744853#27181
26728608#28773
24820455#29009
26727471#31638
24820820#31749
4242507#32268
17410199#32327
26731467#33504
4246099#37301
24809924#37841
22413139#38052
14719052#38854
24820711#39057
24822156#39271
24818919#39533
4247720#40523

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 47.78 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 277.75 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.312; 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 · 14744500