Structure of molecule 1987

Molecule card · MolClass #1987

Meropenem

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

3 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
MeropenemFlucanozole Synergizer · compound_name
103188146Liver Toxcicity · compound_name
49681817Antifungal Pump Inhibitors · compound_name
MolClass ID
1987
InChIKey
DMJNNHOOLUXYBV-PQTSNVLCSA-N
Canonical SMILES
CC(O)C1C(=O)N2C(C(=O)O)=C(C(C)C12)SC3CNC(C3)C(=O)N(C)C
Standard InChI
InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
Stored Murcko scaffold
S(C1=CN2[CH]CC2C1)C3CNCC3

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
3
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
135.48 Ų
CDK 2.12 · 2026-08-19
Molecular weight
383.464 g/mol
CDK 2.12 · 2026-08-19
XLogP
-0.779
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.

  • Flucanozole Synergizer

    Dataset #3 · Meropenem

  • Liver Toxcicity

    Dataset #17 · 103188146

  • Antifungal Pump Inhibitors

    Dataset #18 · 49681817