Structure of molecule 1910

Molecule card · MolClass #1910

Condelphine

Condelphine: 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
CondelphineFlucanozole Synergizer · compound_name
MolClass ID
1910
InChIKey
ZEBMMHUDQRRILP-WZSMAATHSA-N
Canonical SMILES
CCN3CC1(CCC(O)C24(C6CC5C(CC(O)(C(CC12)C34)C6(C5(OC(C)=O)))OC))(COC)
Standard InChI
InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24+,25-/m1/s1
Stored Murcko scaffold
N1CC2CCCC34C1C(CC23)C5CCC6CC5C4C6

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
7
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
88.46 Ų
CDK 2.12 · 2026-08-19
Molecular weight
449.581 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.996
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 · Condelphine