General Information of the Compound
| Compound ID |
CP0889178
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| Compound Name |
S-(4-Isopropylbenzyl)isothiourea hydrobromide
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| Structure |
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| Formula |
C11H17BrN2S
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| Molecular Weight |
289.242
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| Canonical SMILES |
Br.CC(C)c1ccc(CSC(=N)N)cc1
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| InChI |
InChI=1S/C11H16N2S.BrH/c1-8(2)10-5-3-9(4-6-10)7-14-11(12)13;/h3-6,8H,7H2,1-2H3,(H3,12,13);1H
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| InChIKey |
UHEAJXLVIXWYHU-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