Structure of molecule 46356

Molecule card · MolClass #46356

24792442

24792442: 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
24792442Mitochondrial Fusion · compound_name
MolClass ID
46356
InChIKey
QUORRAFEJPPCPI-UHFFFAOYSA-N
Canonical SMILES
Cc1ccc(cc1(C))N(C(C)C(=O)NC3=C(C)N(C)N(c2ccccc2)C3(=O))S(C)(=O)=O
Standard InChI
InChI=1S/C23H28N4O4S/c1-15-12-13-20(14-16(15)2)27(32(6,30)31)18(4)22(28)24-21-17(3)25(5)26(23(21)29)19-10-8-7-9-11-19/h7-14,18H,1-6H3,(H,24,28)
Stored Murcko scaffold
c1ccc(cc1)NC[CH]NC2=CNN([CH]2)c3ccccc3

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
8
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
7
CDK 2.12 · 2026-08-19
Topological polar surface area
98.41 Ų
CDK 2.12 · 2026-08-19
Molecular weight
456.56 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.016
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 · 24792442