General Information of the Compound
| Compound ID |
CP0395041
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| Compound Name |
(E)-3-[4-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-methoxyphenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H24N2O3
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| Molecular Weight |
424.5
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)c(OC)c1)c1ccc2[nH]ncc2c1)c1ccccc1
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| InChI |
InChI=1S/C27H24N2O3/c1-3-23(18-7-5-4-6-8-18)27(20-11-13-24-22(15-20)17-28-29-24)21-10-9-19(12-14-26(30)31)25(16-21)32-2/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b14-12+,27-23-
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| InChIKey |
WHDLKJNDYWFBIX-UAWLBYJDSA-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