General Information of the Compound
| Compound ID |
CP0919133
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| Compound Name |
1-[4-(2-Chloro-allyl)-piperazin-1-yl]-4-(4-chloro-phenyl)-butane-1,4-dione hydrochloride
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| Structure |
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| Formula |
C17H21Cl3N2O2
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| Molecular Weight |
391.726
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| Canonical SMILES |
C=C(Cl)CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1.Cl
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| InChI |
InChI=1S/C17H20Cl2N2O2.ClH/c1-13(18)12-20-8-10-21(11-9-20)17(23)7-6-16(22)14-2-4-15(19)5-3-14;/h2-5H,1,6-12H2;1H
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| InChIKey |
AIHKKTSTCWHIBE-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