General Information of the Compound
| Compound ID |
CP0111058
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| Compound Name |
N-[4-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]phenyl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C29H34N4O4
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| Molecular Weight |
502.615
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
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| InChI |
InChI=1S/C29H34N4O4/c30-25(20-21-10-4-3-5-11-21)29(36)32-26-13-9-8-12-24(26)22-16-18-23(19-17-22)31-27(34)14-6-1-2-7-15-28(35)33-37/h3-5,8-13,16-19,25,37H,1-2,6-7,14-15,20,30H2,(H,31,34)(H,32,36)(H,33,35)/t25-/m0/s1
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| InChIKey |
SZYFHRXJYNBDKS-VWLOTQADSA-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01443, Polyamine deacetylase HDAC10