General Information of the Compound
| Compound ID |
CP0375130
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| Compound Name |
(E)-3-[4-(2-Butoxy-3,5-diisopropyl-phenyl)-1H-indol-2-yl]-but-2-enoic acid
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| Structure |
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| Formula |
C28H35NO3
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| Molecular Weight |
433.592
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| Canonical SMILES |
CCCCOc1c(cc(cc1-c1cccc2[nH]c(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C28H35NO3/c1-7-8-12-32-28-22(18(4)5)14-20(17(2)3)15-24(28)21-10-9-11-25-23(21)16-26(29-25)19(6)13-27(30)31/h9-11,13-18,29H,7-8,12H2,1-6H3,(H,30,31)/b19-13+
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| InChIKey |
YJGWWHHHKOOYNJ-CPNJWEJPSA-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