General Information of the Compound
| Compound ID |
CP0386678
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| Compound Name |
(E)-3-[4-[[2-(6-hydroxy-2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
Cc1[nH]c2cc(O)ccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
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| InChI |
InChI=1S/C21H23N3O2/c1-14-18(19-8-7-17(25)12-20(19)24-14)10-11-23-13-16-4-2-15(3-5-16)6-9-21(22)26/h2-9,12,23-25H,10-11,13H2,1H3,(H2,22,26)/b9-6+
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| InChIKey |
UBAQJMHJQGDBBO-RMKNXTFCSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8