General Information of the Compound
| Compound ID |
CP0500346
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| Compound Name |
(E)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]but-2-en-1-one
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| Formula |
C21H22Cl2N2O
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| Molecular Weight |
389.326
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| Canonical SMILES |
C\C=C\C(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H22Cl2N2O/c1-2-3-20(26)24-12-14-25(15-13-24)21(16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h2-11,21H,12-15H2,1H3/b3-2+
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| InChIKey |
LEKHCISQCNATMD-NSCUHMNNSA-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