General Information of the Compound
| Compound ID |
CP0408928
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| Compound Name |
N-[4-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]phenyl]phenyl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C29H34N4O5
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| Molecular Weight |
518.614
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
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| InChI |
InChI=1S/C29H34N4O5/c30-25(19-20-11-17-23(34)18-12-20)29(37)32-26-8-6-5-7-24(26)21-13-15-22(16-14-21)31-27(35)9-3-1-2-4-10-28(36)33-38/h5-8,11-18,25,34,38H,1-4,9-10,19,30H2,(H,31,35)(H,32,37)(H,33,36)/t25-/m0/s1
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| InChIKey |
BKQJCMOVBFAIQR-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