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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1790492
CHEMBL1790492
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C51H69N9O7S

Additional synonyms for CHEMBL1790492 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@ ...
Download SMILES
Standard InChI InChI=1S/C51H69N9O7S/c1-9-34(6)47(51(65)54-30-36-19-13-14-24 ...
Download InChI
Standard InChI Key KYCUIZHPGSKLBL-QCCKNLFTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1790492

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
952.2 951.5041 5.04 25 227.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 7 3 16 7 4


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.57 6.69 6.5 6.42 5 68 0.04

Structural Alerts

There are 3 structural alerts for CHEMBL1790492. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KYCUIZHPGSKLBL-QCCKNLFTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1790492



BindingDB 50368274
PubChem 56682777
ZINC ZINC000150518269

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