General Information of the Compound
| Compound ID |
CP0539272
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| Compound Name |
(E)-N-hydroxy-3-[3-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)sulfonyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
CN1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
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| InChI |
InChI=1S/C21H21N3O4S/c1-23-12-11-20-18(14-23)17-7-2-3-8-19(17)24(20)29(27,28)16-6-4-5-15(13-16)9-10-21(25)22-26/h2-10,13,26H,11-12,14H2,1H3,(H,22,25)/b10-9+
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| InChIKey |
AKVIPQCFHGRAMC-MDZDMXLPSA-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: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 1840 nM
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| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 2450 nM
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LI
LO
TS
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