General Information of the Compound
| Compound ID |
CP0517958
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| Compound Name |
(3Z,5Z)-1-acryloyl-3,5-bis(4-chlorobenzylidene)-4-piperidone
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| Structure |
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| Formula |
C22H17Cl2NO2
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| Molecular Weight |
398.289
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| Canonical SMILES |
Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)cc3)C2=O)C(=O)C=C)cc1
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| InChI |
InChI=1S/C22H17Cl2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11-,18-12-
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| InChIKey |
UANWMDUDDVNHJV-WHYMJUELSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8