General Information of the Compound
| Compound ID |
CP0307648
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| Compound Name |
(Z)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-3-(3-hydroxyphenyl)-2-propenamide
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| Structure |
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| Formula |
C22H15ClN2O2S
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| Molecular Weight |
406.894
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| Canonical SMILES |
Oc1cccc(\C=C(\C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3s2)c1
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| InChI |
InChI=1S/C22H15ClN2O2S/c23-15-8-10-16(11-9-15)24-21(27)18(13-14-4-3-5-17(26)12-14)22-25-19-6-1-2-7-20(19)28-22/h1-13,26H,(H,24,27)/b18-13-
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| InChIKey |
WLIAEGLNJRYXSH-AQTBWJFISA-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8