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name Structure Reference Source Properties Activities Metabolism

1-(3,4-dichlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

AlkaPlorer ID: AK105353

Synonym: None

IUPAC Name: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structure

SMILES: CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C(Cl)=C1

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InChI: InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)

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InChIKey: FPULLBVUFHTKQQ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 286.16600000000005

TPSA？: 79.99999999999999

MolLogP？: 2.1789000000000005

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canis lupus familiaris MDCK CC50 6700.0 nM 10.1016/j.ejmech.2017.04.070
Canis lupus familiaris MDCK MCC 200.0 nM 10.1016/j.ejmech.2017.04.070
Chlorocebus sabaeus Vero MCC 100000.0 nM 10.1016/j.ejmech.2017.04.070
Coxsackievirus B4 Coxsackievirus B4 EC50 100000.0 nM 10.1016/j.ejmech.2017.04.070
Escherichia coli Dihydrofolate reductase type 1 Log 1/C 6.8 None 10.1021/jm00381a013
Homo sapiens Calu-3 MCC 100000.0 nM 10.1016/j.ejmech.2017.04.070
Homo sapiens Dihydrofolate reductase Ki 110.0 nM 10.1016/j.ejmech.2017.04.070
Homo sapiens HeLa MCC 100000.0 nM 10.1016/j.ejmech.2017.04.070
Human respirovirus 3 Human respirovirus 3 EC50 100000.0 nM 10.1016/j.ejmech.2017.04.070
Influenza A virus Influenza A virus EC50 350.0 nM 10.1016/j.ejmech.2017.04.070
Influenza A virus Influenza A virus EC50 550.0 nM 10.1016/j.ejmech.2017.04.070
Influenza B virus Influenza B virus EC50 80.0 nM 10.1016/j.ejmech.2017.04.070
Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 EC50 3800.0 nM 10.1016/j.ejmech.2017.04.070
Plasmodium falciparum Plasmodium falciparum IC50 0.0 nM 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum IC50 0.011 nM 10.1128/aac.00308-09
Plasmodium falciparum Plasmodium falciparum IC50 4.0 nM 10.1021/jm0009181
Plasmodium falciparum Plasmodium falciparum IC50 37.8 nM 10.1128/aac.00308-09
Plasmodium falciparum Plasmodium falciparum IC50 38.06 nM 10.1128/aac.00308-09
Plasmodium falciparum Plasmodium falciparum IC50 39.99 nM 10.1128/aac.00308-09
Plasmodium falciparum Plasmodium falciparum IC50 79.0 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum IC50 87.68 nM 10.1128/aac.00308-09
Plasmodium falciparum Plasmodium falciparum IC50 92.3 nM 10.1128/aac.00308-09
Plasmodium falciparum Plasmodium falciparum IC50 307.0 nM 10.1021/jm0009181
Plasmodium falciparum K1 Dihydrofolate reductase IC50 ratio 76.75 None 10.1021/jm0009181
Plasmodium falciparum K1 Dihydrofolate reductase Ki 1.1 nM 10.1021/jm0009181
Plasmodium falciparum K1 Dihydrofolate reductase Ki 1.1 nM 10.1021/jm040769c
Plasmodium falciparum K1 Dihydrofolate reductase Ki 130.7 nM 10.1021/jm0009181
Plasmodium falciparum K1 Dihydrofolate reductase Ratio 119.0 None 10.1021/jm0009181
Plasmodium falciparum K1 Dihydrofolate reductase Relative activity 0.1 None 10.1021/jm0009181
Plasmodium falciparum K1 Dihydrofolate reductase Relative activity 0.73 None 10.1021/jm0009181
Punta Toro virus Punta Toro virus EC50 100000.0 nM 10.1016/j.ejmech.2017.04.070
Rattus norvegicus Dihydrofolate reductase Log 1/C 8.54 None 10.1021/jm00113a022
Respiratory syncytial virus Respiratory syncytial virus EC50 7.5 nM 10.1016/j.ejmech.2017.04.070
Sindbis virus Sindbis virus EC50 100000.0 nM 10.1016/j.ejmech.2017.04.070
Vesicular stomatitis virus Vesicular stomatitis virus EC50 100000.0 nM 10.1016/j.ejmech.2017.04.070
Yellow fever virus Yellow fever virus EC50 100000.0 nM 10.1016/j.ejmech.2017.04.070
None Unchecked EC50 30.0 nM 10.1016/j.ejmech.2017.04.070
None Unchecked EC50 720.0 nM 10.1016/j.ejmech.2017.04.070
None Unchecked EC50 1400.0 nM 10.1016/j.ejmech.2017.04.070
None Unchecked Ratio EC50 2.0 None 10.1016/j.ejmech.2017.04.070

Metabolism Information