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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL327501
CHEMBL327501
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H30N4O3

Additional synonyms for CHEMBL327501 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)N(C)C
Standard InChI InChI=1S/C15H30N4O3/c1-6-16-13(20)8-7-9-17-14(21)12(10-11(2) ...
Download InChI
Standard InChI Key YSDHYNHETZRZBZ-LBPRGKRZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL327501

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
314.4 314.2318 0.7 9 90.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.77 - .19 .19 0 22 0.55

Structural Alerts

There are 3 structural alerts for CHEMBL327501. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YSDHYNHETZRZBZ-LBPRGKRZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL327501



BindingDB 50039997
PubChem 44330887
ZINC ZINC000026740194

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