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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2029375
CHEMBL2029375
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H29FN4O5

Additional synonyms for CHEMBL2029375 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](O)CN1N(C(=O)C(=C1C)C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c ...
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Standard InChI InChI=1S/C31H29FN4O5/c1-4-22(37)18-35-19(2)29(31(39)36(35)21 ...
Download InChI
Standard InChI Key GYCPBMYHPVDKFK-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2029375

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
556.6 556.2122 5.46 9 107.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 2 9 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11 5.25 3.4 3.4 5 41 0.25

Structural Alerts

There are 1 structural alerts for CHEMBL2029375. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GYCPBMYHPVDKFK-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2029375



BindingDB 50383197
IBM Patent System 76F31F7044FFE6ECB666EEC33AB9D125
PubChem 59598404
SureChEMBL SCHEMBL197991
ZINC ZINC000084759425

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