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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

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
ChEBI 15633
eMolecules 36095292
FDA SRS KXP0KNM559
Human Metabolome Database HMDB01056
IBM Patent System 9E23783819728DC4DF4D06BC7748C14D
KEGG Ligand C00415
Nikkaji J647.851D
PDBe DHF
PubChem 98792
PubChem: Thomson Pharma 15201936 15007999
SureChEMBL SCHEMBL8282 SCHEMBL16938288

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