General Information of the Compound
| Compound ID |
CP0930735
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| Compound Name |
N-(3-(Benzylamino)-3-oxopropyl)-N-(4-(hydroxycarbamoyl)benzyl)-3,5-dimethoxybenzamide
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| Structure |
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| Formula |
C27H29N3O6
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| Molecular Weight |
491.544
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| Canonical SMILES |
COc1cc(OC)cc(C(=O)N(CCC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)c1
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| InChI |
InChI=1S/C27H29N3O6/c1-35-23-14-22(15-24(16-23)36-2)27(33)30(18-20-8-10-21(11-9-20)26(32)29-34)13-12-25(31)28-17-19-6-4-3-5-7-19/h3-11,14-16,34H,12-13,17-18H2,1-2H3,(H,28,31)(H,29,32)
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| InChIKey |
QTZAWOHWWBCUIO-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