CYCLOGUANIL PAMOATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TCO0SY4N3D

Structure
InChI Key FFUCUNIBSOIVIA-UHFFFAOYSA-N
Smile CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChI
InChI=1S/C23H16O6.C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6H,1-2H3,(H4,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H44Cl2N10O6
Molecular Weight 891.82
AlogP 1.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 80.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dihydrofolate reductase inhibitor PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4003
ChEMBL CHEMBL3989825
FDA SRS TCO0SY4N3D
KEGG C11724
PubChem 443381
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