General Information of the Compound
| Compound ID |
CP0807121
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| Compound Name |
S-(3-Chlorophenethyl)isothiourea hydrobromide
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| Structure |
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| Formula |
C9H12BrClN2S
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| Molecular Weight |
295.633
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| Canonical SMILES |
Br.N=C(N)SCCc1cccc(Cl)c1
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| InChI |
InChI=1S/C9H11ClN2S.BrH/c10-8-3-1-2-7(6-8)4-5-13-9(11)12;/h1-3,6H,4-5H2,(H3,11,12);1H
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| InChIKey |
IEYBRGMQKPZHDJ-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