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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL353472
CHEMBL353472
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H29N3O3S

Additional synonyms for CHEMBL353472 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CSC
Standard InChI InChI=1S/C19H29N3O3S/c1-13(2)10-15(21-17(23)12-26-4)19(25)22 ...
Download InChI
Standard InChI Key RTCNQSGQNAAYMT-HOTGVXAUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL353472

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
379.5 379.193 1.35 10 87.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.12 - 2.5 2.5 1 26 0.57

Structural Alerts

There are 2 structural alerts for CHEMBL353472. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RTCNQSGQNAAYMT-HOTGVXAUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL353472



BindingDB 50291449
PubChem 44382993
ZINC ZINC000027998598

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