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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2172315
CHEMBL2172315
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H43F2N5O3

Additional synonyms for CHEMBL2172315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NC(=O)[C@@H]1CC[C@@H](CC1)N2\C(=N\C(=O)c3cc(F)cc(F)c3)\ ...
Download SMILES
Standard InChI InChI=1S/C33H43F2N5O3/c1-20(2)36-30(41)22-6-8-27(9-7-22)40-2 ...
Download InChI
Standard InChI Key GZYCQQBRSRIFII-JAQLMMITSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2172315

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
595.7 595.3334 5.23 7 102.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 2 8 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.01 5.06 3.42 3 43 0.35

Structural Alerts

There are 1 structural alerts for CHEMBL2172315. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZYCQQBRSRIFII-JAQLMMITSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2172315



BindingDB 50396263
PubChem: Thomson Pharma 136331935
SureChEMBL SCHEMBL573107

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