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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL46294
CHEMBL46294
Compound Name DIHYDROFOLIC ACID
ChEMBL Synonyms Dihydrofolic acid
Max Phase 0
Trade Names
Molecular Formula C19H21N7O6

Additional synonyms for CHEMBL46294 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)C2=C(NCC(=N2)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(= ...
Download SMILES
Standard InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-1 ...
Download InChI
Standard InChI Key OZRNSSUDZOLUSN-LBPRGKRZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL46294

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
443.4 443.1553 -1.25 9 207.59 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 7 2 13 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.46 12.68 -1.11 -4.59 1 32 0.24

Structural Alerts

There are 2 structural alerts for CHEMBL46294. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZRNSSUDZOLUSN-LBPRGKRZSA-N
Wikipedia Dihydrofolic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL46294



ACToR 4033-27-6
BindingDB 18044
Brenda 16834 5923 193 1351 113315 122432 93197 110847 8093
ChEBI 15633
DrugBank DB02015
eMolecules 36095292
FDA SRS KXP0KNM559
Human Metabolome Database HMDB0001056
IBM Patent System 9E23783819728DC4DF4D06BC7748C14D
KEGG Ligand C00415
Metabolights MTBLC15633
Nikkaji J647.851D
PDBe DHF
PubChem 98792
PubChem: Thomson Pharma 15201936 15007999
SureChEMBL SCHEMBL8282 SCHEMBL16938288
ZINC ZINC000004228265

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