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Purine

AlkaPlorer ID: AK002309

Synonym: None

IUPAC Name: 7H-purine

Structure

SMILES: C1=NC=C2N=CNC2=N1

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InChI: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)

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InChIKey: KDCGOANMDULRCW-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 120.115

TPSA？: 54.46

MolLogP？: 0.3528999999999999

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Phosphatidylinositol 4-kinase, PI4K Inhibition 19.4 % 10.1021/jm00170a005
None Nucleic Acid K ass 2.0 M-1 10.1021/jm9904708

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT024822 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.c1ncc2[nH]cnc2n1>>OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O MNXR173289
AKRT024989 c1ncc2[nH]cnc2n1>>O=c1[nH]c(=O)c2nc[nH]c2[nH]1 MNXR132931
AKRT024990 c1ncc2[nH]cnc2n1>>O=c1[nH]cnc2nc[nH]c12 MNXR177309
AKRT024991 c1ncc2[nH]cnc2n1>>Oc1nc2ncncc2[nH]1 MNXR130903
AKRT024995 c1ncc2nc[nH]c2n1>>O=c1[nH]cnc2nc[nH]c12 RXN-8755
AKRT024996 c1ncc2nc[nH]c2n1>>Oc1nc2ncncc2[nH]1 RXN-8753