General Information of the Compound
| Compound ID |
CP0543108
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| Compound Name |
(E)-3-[4-[(E)-2-(2-cyanophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H21N3O2
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| Molecular Weight |
419.484
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1C#N
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| InChI |
InChI=1S/C27H21N3O2/c1-2-23(24-6-4-3-5-21(24)16-28)27(20-12-13-25-22(15-20)17-29-30-25)19-10-7-18(8-11-19)9-14-26(31)32/h3-15,17H,2H2,1H3,(H,29,30)(H,31,32)/b14-9+,27-23+
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| InChIKey |
REVXGMJBPXMJCS-MVIRSQBCSA-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