Molecule card · MolClass #38164

7968515

7968515: 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: 7968515Mitochondrial Fusion · compound_name
MolClass ID: 38164
InChIKey: WTGQSROIIWLTRZ-UHFFFAOYSA-N
Canonical SMILES: O=C3C1CCCN1C(c2ccccc2)N3c4ccc(F)cc4
Standard InChI: InChI=1S/C18H17FN2O/c19-14-8-10-15(11-9-14)21-17(13-5-2-1-3-6-13)20-12-4-7-16(20)18(21)22/h1-3,5-6,8-11,16-17H,4,7,12H2
Stored Murcko scaffold: c1ccc(cc1)N2[CH]C3N(CCC3)C2c4ccccc4

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.

C466-0109#24982
7964758#33957
7969358#37157
7968470#37393
4251257#37659
7966479#37815
4251959#37828
7968189#38026
4247088#38090
7966257#38509
7967406#38722
7968414#38770
4247415#38773
7967899#39168
4248702#39415
7969030#40023
7964749#40120
7965108#40479
7966190#40510
4248101#40637

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 23.55 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 296.339 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.453; 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 · 7968515