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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615277
CHEMBL1615277
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H29F3N4O3

Additional synonyms for CHEMBL1615277 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](Oc1cc(ccc1C(=O)N)n2cnc3cc(OC4CCN(C)CC4)ccc23)c5ccccc ...
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Standard InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38- ...
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Standard InChI Key FASALJZFFLCNKM-GOSISDBHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1615277

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
538.6 538.2192 5.76 7 82.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.22 2.14 1.3 4 39 0.32

Structural Alerts

There are no structural alerts for CHEMBL1615277

Compound Cross References

ChemSpider ChemSpider:FASALJZFFLCNKM-GOSISDBHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615277



BindingDB 50339801
PDBe WCX
PubChem 50990894
PubChem: Thomson Pharma 121275044
ZINC ZINC000064744235

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