General Information of the Compound
| Compound ID |
CP0339207
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| Compound Name |
CHEBI:8455
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| Synonyms |
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine
1-(p-Chlorophenyl)-5-isopropylbiguanide
1-Isopropyl-5-(4-chlorophenyl)biguanide
Bigumal
Chlorguanid
Chlorguanide
Chloriguane
Chloroguanide
Diguanyl (hydrochloride)
Drinupal (hydrochloride)
M-4888 (hydrochloride)
N-(4-Chlorophenyl)-N'-(1-methylethyl)imidodicarbonimidic diamide
N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide
N-(4-chlorophenyl)-N'-(propan-2-yl)imidodicarbonimidic diamide
N1-p-Chlorophenyl-N5-isopropylbiguanide
Paludrin
Paludrine (TN)
Paludrine (hydrochloride)
Palusil (hydrochloride)
Proguanil
Proguanil [INN:BAN]
Proguanile
Proguanile [DCIT]
Proguanilum
Proguanilum [INN-Latin]
RP-3359
SN-12837 (hydrochloride)
Tirian (hydrochloride)
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| Structure |
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| Formula |
C11H16ClN5
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| Molecular Weight |
253.737
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| Canonical SMILES |
CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
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| InChIKey |
SSOLNOMRVKKSON-UHFFFAOYSA-N
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| CAS |
500-92-5
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03226, Trace amine-associated receptor 1
Protein ID: PT04763, Trace amine-associated receptor 1
Protein ID: PT06391, Trace amine-associated receptor 5
Clinical Information about the Compound