Structure of molecule 9535

Molecule card · MolClass #9535

6918162

6918162: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
6918162P.falciparum Sensitivity · compound_name
11532953Mitochondrial Fusion · compound_name
MolClass ID
9535
InChIKey
VQLPLYSROCPWFF-QZTJIDSGSA-N
Canonical SMILES
CN(C(=O)Cc1ccc(c(c1)Cl)Cl)C2CCCCC2N3CCCC3
Standard InChI
InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
Stored Murcko scaffold
[N]([CH]Cc1ccccc1)C2CCCCC2N3CCCC3

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
3
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
23.55 Ų
CDK 2.12 · 2026-08-19
Molecular weight
369.329 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.28
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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • P.falciparum Sensitivity

    Dataset #8 · 6918162

  • Mitochondrial Fusion

    Dataset #19 · 11532953