Molecule card · MolClass #1194

LOPAC 01287

LOPAC 01287: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: Vinblastine sulfate saltCompound induced Neuronal Stem Cell Differentiation · compound_name
MolClass ID: 1194
InChIKey: Not recorded
Canonical SMILES: [H]C49(N2CC=CC9(CC)(C(OC(C)=O)C(O)(C(=O)OC)C3N(C)c1cc(OC)c(cc1C34(CC2))C6(CC8CN(CCc5c7ccccc7([nH]c56))CC(O)(CC)C8)(C(=O)OC)))
Standard InChI: null
Stored Murcko scaffold: c1ccc2c(c1)[nH]c3c2CCN4CCCC(C4)CC3c5ccc6NC7CCC8C=CCN9CCC7(c6c5)C98

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.

143-67-9#8976
11957719#9748
103229487#25477

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 11; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 154.1 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 810.976 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.73; 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.

Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 1239