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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074655
CHEMBL2074655
Compound Name TETRAHYDROFOLATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23N7O6

Additional synonyms for CHEMBL2074655 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)C2=C(NC[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C( ...
Download SMILES
Standard InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-1 ...
Download InChI
Standard InChI Key MSTNYGQPCMXVAQ-NEPJUHHUSA-N

Sources

  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL2074655

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
445.4 445.171 -0.28 9 211.56 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 8 1 13 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.51 9.24 -.59 -4.09 2 32 0.25

Structural Alerts

There are 2 structural alerts for CHEMBL2074655. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MSTNYGQPCMXVAQ-NEPJUHHUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074655



BindingDB 50391006
Brenda 109860 109859
EPA CompTox Dashboard DTXSID70897520
IBM Patent System B0954A292883E38F262CAC59F3D6C677
Nikkaji J484.203K
PDBe 1YJ
PubChem 9826590
PubChem: Thomson Pharma 16729485 163499921
SureChEMBL SCHEMBL8031
ZINC ZINC000004228235

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