General Information of the Compound
| Compound ID |
CP0412839
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| Compound Name |
(E)-3-[4-[(E)-2-(3-chlorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H21ClN2O2
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| Molecular Weight |
428.919
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H21ClN2O2/c1-2-23(19-4-3-5-22(27)15-19)26(20-11-12-24-21(14-20)16-28-29-24)18-9-6-17(7-10-18)8-13-25(30)31/h3-16H,2H2,1H3,(H,28,29)(H,30,31)/b13-8+,26-23+
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| InChIKey |
FNPBSZAJZKLOLM-LDPXRHKHSA-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