Molecule card · MolClass #1193

LOPAC 01290

LOPAC 01290: 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: Vincristine sulfateCompound induced Neuronal Stem Cell Differentiation · compound_name
MolClass ID: 1193
InChIKey: Not recorded
Canonical SMILES: [H]C49(N2CC=CC9(CC)(C(OC(C)=O)C(O)(C(=O)OC)C3N(C=O)c1cc(OC)c(cc1C34(CC2))C6(CC8CN(CCc5c7ccccc7([nH]c56))CC(O)(CC)C8)(C(=O)OC)))
Standard InChI: null
Stored Murcko scaffold: [N]1c2ccc(cc2C34CCN5CC=CC(CCC13)C54)C6c7[nH]c8ccccc8c7CCN9CCCC(C9)C6

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.

2068-78-2#8987
11957714#9747
103251408#25473
26663041#26343

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 12; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 11; CDK 2.12 · 2026-08-19
Topological polar surface area: 171.17 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 824.959 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.561; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 1238