General Information of the Compound
| Compound ID |
CP0778294
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| Compound Name |
S-(2,4-Dichlorobenzyl)isothiourea hydrobromide
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| Synonyms |
2,4-Dichlorobenzyl imidothiocarbamate
CHEMBL1224483
MLS000702775
P-CHLOROBENZYLPSEUDOTHIURONIUM BROMIDE
S-(2,4-Dichlorobenzyl)isothiourea hydrobromide
SMR000226761
[(2,4-dichlorophenyl)methyl]sulfanylmethanimidamide hydrobromide
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| Structure |
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| Formula |
C8H9BrCl2N2S
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| Molecular Weight |
316.051
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| Canonical SMILES |
Br.N=C(N)SCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C8H8Cl2N2S.BrH/c9-6-2-1-5(7(10)3-6)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
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| InChIKey |
BNMARKYIMABDPE-UHFFFAOYSA-N
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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: PT06109, Geminin
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Clinical Information about the Compound