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Cyanuric acid

AlkaPlorer ID: AK027220

Synonym: None

IUPAC Name: 1,3,5-triazinane-2,4,6-trione

Structure

SMILES: OC1=NC(O)=NC(O)=N1

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InChI: InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

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InChIKey: ZFSLODLOARCGLH-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Acokanthera oblongifolia Acokanthera Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 129.075

TPSA？: 99.36

MolLogP？: -1.0116000000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens DNA replication ATP-dependent helicase/nuclease DNA2 Inhibition nan % None
Homo sapiens HL-60 GI50 300000.0 nM 10.1016/j.bmcl.2007.04.007
Homo sapiens HL-60 GI50 4300000.0 nM 10.1016/j.bmcl.2007.04.007
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 39.0 % 10.1016/j.bmcl.2007.04.007
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 6.25 ug.mL-1 10.1016/j.bmcl.2007.04.007
None Unchecked IC50 81000.0 nM 10.1016/j.bmcl.2007.04.007

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006122 CC(C)N=c1[nH]c(=O)[nH]c(=O)[nH]1>>CC(C)N.O=c1[nH]c(=O)[nH]c(=O)[nH]1 None
AKRT006123 CC(C)N=c1[nH]c(=O)[nH]c(=O)[nH]1>>O=c1[nH]c(=O)[nH]c(=O)[nH]1 enzymemap_79286
AKRT006135 CC(C)Nc1nc(O)nc(O)n1>>Oc1nc(O)nc(O)n1 R123-RXN
AKRT009636 CCN=c1[nH]c(=O)[nH]c(=O)[nH]1>>O=c1[nH]c(=O)[nH]c(=O)[nH]1 enzymemap_79290
AKRT009690 CCNc1nc(O)nc(O)n1>>Oc1nc(O)nc(O)n1 R05573
AKRT010650 CN=c1[nH]c(=O)[nH]c(=O)[nH]1>>O=c1[nH]c(=O)[nH]c(=O)[nH]1 enzymemap_79289
AKRT016341 N=c1[nH]c(=O)[nH]c(=O)[nH]1>>O=c1[nH]c(=O)[nH]c(=O)[nH]1 enzymemap_79216
AKRT021098 Nc1nc(O)[nH]c(=O)n1>>Oc1nc(O)nc(O)n1 RXN-8017
AKRT021105 Nc1nc(O)nc(O)n1>>Oc1nc(O)nc(O)n1 R06967
AKRT024102 O=c1[nH]c(=O)[nH]c(=NC2CC2)[nH]1>>O=c1[nH]c(=O)[nH]c(=O)[nH]1 enzymemap_79292
AKRT024104 O=c1[nH]c(=O)[nH]c(=NCCO)[nH]1>>O=c1[nH]c(=O)[nH]c(=O)[nH]1 enzymemap_79291
AKRT024895 Oc1nc(O)nc(NC2CC2)n1>>Oc1nc(O)nc(O)n1 RXN-8020
AKRT024896 Oc1nc(O)nc(O)n1>>NC(=O)NC(=O)NC(=O)O RXN-20062
AKRT024897 Oc1nc(O)nc(O)n1>>NC(=O)NC(N)=O MNXR109681
AKRT024898 Oc1nc(O)nc(O)n1>>O=C(O)O MNXR109681