General Information of the Compound
| Compound ID |
CP0494093
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| Compound Name |
(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-(4-methylthiophen-3-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H22N2O2S
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| Molecular Weight |
414.53
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cscc1C
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| InChI |
InChI=1S/C25H22N2O2S/c1-3-21(22-15-30-14-16(22)2)25(19-9-10-23-20(12-19)13-26-27-23)18-7-4-17(5-8-18)6-11-24(28)29/h4-15H,3H2,1-2H3,(H,26,27)(H,28,29)/b11-6+,25-21+
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| InChIKey |
AOWPNEHSNGFHED-PDCBNWDTSA-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