General Information of the Compound
| Compound ID |
CP0678206
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| Compound Name |
S-(3,4-Dichlorobenzyl)isothiourea hydrochloride
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| Synonyms |
2-(3,4-DICHLORO-BENZYL)-ISOTHIOUREA
2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride
2-[(3,4-dichlorophenyl)methyl]isothiourea hydrochloride
22816-60-0
3,4-dichlorobenzyl carbamimidothioate hydrochloride
A 22 hydrochloride
AC1MD4YH
CHEMBL1224484
MreB Perturbing Compound A22
S-(3,4-Dichlorobenzyl)isothiourea hydrochloride
S-(3,4-Dichlorobenzyl)isothiourea, HCl
amino[(3,4-dichlorobenzyl)sulfanyl]methaniminium chloride
{[(3,4-dichlorophenyl)methyl]sulfanyl}methanimidamide hydrochloride
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| Structure |
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| Formula |
C8H9Cl3N2S
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| Molecular Weight |
271.6
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| Canonical SMILES |
Cl.N=C(N)SCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
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| InChIKey |
VBJNMXMOMSWRDV-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