Structure of molecule 9346

Molecule card · MolClass #9346

Mianserin

Mianserin: 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
MianserinBlood Brain Barrier · compound_name
103164209Liver Toxcicity · compound_name
MolClass ID
9346
InChIKey
UEQUQVLFIPOEMF-SFHVURJKSA-N
Canonical SMILES
CN2CCN3c4ccccc4(Cc1ccccc1C3(C2))
Standard InChI
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m0/s1
Stored Murcko scaffold
c1ccc2c(c1)N3CCNCC3c4ccccc4C2

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
2
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
0
CDK 2.12 · 2026-08-19
Topological polar surface area
6.48 Ų
CDK 2.12 · 2026-08-19
Molecular weight
264.365 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.321
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.

  • Blood Brain Barrier

    Dataset #7 · Mianserin

  • Liver Toxcicity

    Dataset #17 · 103164209