General Information of the Compound
| Compound ID |
CP0774168
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| Compound Name |
S-(4-Bromobenzyl)isothiourea hydrobromide
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| Synonyms |
([(4-Bromophenyl)methyl]sulfanyl)methanimidamide hydrobromide
111039-41-9
4-bromobenzyl carbamimidothioate hydrobromide
AKOS005396363
CHEMBL1224314
KS-00001OGW
MolPort-002-945-994
NSC-403785
NSC403785
S-(4-Bromobenzyl)isothiourea hydrobromide
SCHEMBL854064
STK099425
{[(4-Bromophenyl)methyl]sulfanyl}methanimidamide hydrobromide
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| Structure |
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| Formula |
C8H10Br2N2S
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| Molecular Weight |
326.057
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| Canonical SMILES |
Br.N=C(N)SCc1ccc(Br)cc1
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| InChI |
InChI=1S/C8H9BrN2S.BrH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
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| InChIKey |
PHMCIGUUXGYEBU-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
Clinical Information about the Compound