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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL256312
CHEMBL256312
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H33ClN8O4

Additional synonyms for CHEMBL256312 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n3cnc4c(NCc5ccc ...
Download SMILES
Standard InChI InChI=1S/C28H33ClN8O4/c1-31-26(41)28-13-18(28)21(22(39)23(28 ...
Download InChI
Standard InChI Key KLKGDSNZDPZCMZ-SGDVHKFBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL256312

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
581.1 580.2313 0.95 12 180.31 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 6 2 12 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.31 9 -.11 -1.71 3 41 0.1

Structural Alerts

There are 5 structural alerts for CHEMBL256312. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KLKGDSNZDPZCMZ-SGDVHKFBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL256312



BindingDB 50377682
PubChem 44448951
PubChem: Thomson Pharma 85742596
ZINC ZINC000029044700

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KLKGDSNZDPZCMZ-SGDVHKFBSA-N spacer
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