General Information of the Compound
| Compound ID |
CP0784874
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| Compound Name |
S-(4-Methoxybenzyl)isothiourea hydrochloride
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| Synonyms |
2-((4-methoxyphenyl)methyl)-2-thiopseudourea hydr
2-(4-Methoxybenzyl)isothiourea hydrochloride
2-(4-methoxybenzyl)-2-thiopseudo-urea hydrochloride
2-(4-methoxybenzyl)-2-thiopseudourea, hydrochloride
25985-08-4
4-Methoxybenzyl imidothiocarbamate hydrochloride
46234-22-4
AKOS030231098
CHEMBL1224394
DTXSID10551871
GEO-03857
NSC-67155
NSC67155
QGNMUFKTLKVUHM-UHFFFAOYSA-N
S-(4-Methoxybenzyl)Isothiourea HCl
S-(4-Methoxybenzyl)isothiourea hydrochloride
S-(4-methoxybenzyl)thiopseudourea, hydrochloride
SCHEMBL489767
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| Structure |
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| Formula |
C9H13ClN2OS
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| Molecular Weight |
232.736
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| Canonical SMILES |
COc1ccc(CSC(=N)N)cc1.Cl
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| InChI |
InChI=1S/C9H12N2OS.ClH/c1-12-8-4-2-7(3-5-8)6-13-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
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| InChIKey |
QGNMUFKTLKVUHM-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