General Information of the Compound
| Compound ID |
CP0905645
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| Compound Name |
N-(3-(Benzylamino)-3-oxopropyl)-N-(4-(hydroxycarbamoyl)benzyl)-4-methoxybenzamide
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| Structure |
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| Formula |
C26H27N3O5
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| Molecular Weight |
461.518
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| Canonical SMILES |
COc1ccc(C(=O)N(CCC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)cc1
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| InChI |
InChI=1S/C26H27N3O5/c1-34-23-13-11-22(12-14-23)26(32)29(18-20-7-9-21(10-8-20)25(31)28-33)16-15-24(30)27-17-19-5-3-2-4-6-19/h2-14,33H,15-18H2,1H3,(H,27,30)(H,28,31)
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| InChIKey |
PKTYWCZLVZZUAK-UHFFFAOYSA-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