General Information of the Compound
| Compound ID |
CP0015331
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| Compound Name |
N-(2-aminophenyl)-4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]benzamide
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| Structure |
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| Formula |
C20H18ClN7O
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| Molecular Weight |
407.865
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| Canonical SMILES |
CNc1nc(Cl)nc2n(Cc3ccc(cc3)C(=O)Nc3ccccc3N)cnc12
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| InChI |
InChI=1S/C20H18ClN7O/c1-23-17-16-18(27-20(21)26-17)28(11-24-16)10-12-6-8-13(9-7-12)19(29)25-15-5-3-2-4-14(15)22/h2-9,11H,10,22H2,1H3,(H,25,29)(H,23,26,27)
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| InChIKey |
KWLQOVHDALHTOO-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: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8