General Information of the Compound
Compound ID
CP0051436
Compound Name
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
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Synonyms
1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
1-(p-Chlorophenyl)-4,6-diamino-2,2-dimethyl-1,2-dihydro-s-triazine
1-p-Chlorophenyl-1,2-dihydro-2,2-dimethyl-4,6-diamino-s-triazine
26RM326WVN
516-21-2
BN-24-10
BN2410
BRN 0229760
CHEMBL747
Chlorcycloguanil
Chlorguanide triazine
Cycloguanil
Cycloguanilum
Cycloguanyl
QMNFFXRFOJIOKZ-UHFFFAOYSA-N
UNII-26RM326WVN
WR 5473
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Structure
Formula
C11H14ClN5
Molecular Weight
251.721
Canonical SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
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InChI
InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
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InChIKey
QMNFFXRFOJIOKZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.5255
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
80
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9049
SID: 14823479
ChEMBL ID
CHEMBL747
DrugBank ID
DB14763
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06391, Trace amine-associated receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cycloguanil )
Drug Name Cycloguanil
Indication
Malaria
Investigative
Target(s)
Polypeptide deformylase (PDF)
 Target Info 
Inhibitor