General Information of the Compound
| Compound ID |
CP0933714
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| Compound Name |
3-(4-methylpiperazin-1-yl)propyl 4-chlorobenzylcarbamimidothioate hydrochloride
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| Structure |
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| Formula |
C16H26Cl2N4S
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| Molecular Weight |
377.385
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| Canonical SMILES |
CN1CCN(CCCSC(=N)NCc2ccc(Cl)cc2)CC1.Cl
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| InChI |
InChI=1S/C16H25ClN4S.ClH/c1-20-8-10-21(11-9-20)7-2-12-22-16(18)19-13-14-3-5-15(17)6-4-14;/h3-6H,2,7-13H2,1H3,(H2,18,19);1H
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| InChIKey |
YYTYFOFKJXFIMJ-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