General Information of the Compound
| Compound ID |
CP0552593
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| Compound Name |
US10301323, Compound D1
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
Nc1ccccc1NC(=O)\C=C\c1cnn(C\C=C\c2ccccc2)c1
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| InChI |
InChI=1S/C21H20N4O/c22-19-10-4-5-11-20(19)24-21(26)13-12-18-15-23-25(16-18)14-6-9-17-7-2-1-3-8-17/h1-13,15-16H,14,22H2,(H,24,26)/b9-6+,13-12+
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| InChIKey |
KOESHVZEHKMOIK-UXKPLKHMSA-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: PT00995, Histone deacetylase 3