General Information of the Compound
| Compound ID |
CP0494092
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| Compound Name |
(E)-3-[4-[(E)-2-(3-chloropyridin-4-yl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H20ClN3O2
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| Molecular Weight |
429.907
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1Cl
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| InChI |
InChI=1S/C25H20ClN3O2/c1-2-20(21-11-12-27-15-22(21)26)25(18-8-9-23-19(13-18)14-28-29-23)17-6-3-16(4-7-17)5-10-24(30)31/h3-15H,2H2,1H3,(H,28,29)(H,30,31)/b10-5+,25-20+
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| InChIKey |
YETVELOSHRLHDE-XELCXUBQSA-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