General Information of the Compound
| Compound ID |
CP0807120
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| Compound Name |
S-(4-Fluorobenzyl)isothiourea hydrochloride
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| Synonyms |
(4-fluorophenyl)methyl carbamimidothioate hydrochloride
122305-64-0
4-FLUOROBENZYL CARBAMIMIDOTHIOATE HCL
4-FLUOROBENZYL CARBAMIMIDOTHIOATE HYDROCHLORIDE
4-Fluorobenzyl carbamimidothioate, HCl
AC1MCYW1
AKOS027334840
AR2252
CHEMBL1224313
CTK7D2165
MCULE-7671257099
MolPort-000-700-596
S-(4-Fluorobenzyl)Isothiourea HCl
S-(4-Fluorobenzyl)isothiourea hydrochloride
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| Structure |
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| Formula |
C8H10ClFN2S
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| Molecular Weight |
220.7
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| Canonical SMILES |
Cl.N=C(N)SCc1ccc(F)cc1
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| InChI |
InChI=1S/C8H9FN2S.ClH/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 |
STUFCQTWEPJJSZ-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