General Information of the Compound
| Compound ID |
CP0437380
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| Compound Name |
(E)-3-[3-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C26H26ClN3O4S
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| Molecular Weight |
512.031
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| Canonical SMILES |
ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H26ClN3O4S/c27-22-13-12-21-11-10-20-6-1-2-8-24(20)30(25(21)18-22)16-4-15-28-35(33,34)23-7-3-5-19(17-23)9-14-26(31)29-32/h1-3,5-9,12-14,17-18,28,32H,4,10-11,15-16H2,(H,29,31)/b14-9+
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| InChIKey |
XPUSBGZOLPMYLO-NTEUORMPSA-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