General Information of the Compound
| Compound ID |
CP0450812
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| Compound Name |
US9056843, 69
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| Structure |
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| Formula |
C19H17F3N4O2
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| Molecular Weight |
390.365
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)c2ccc(cc2)-c2noc(n2)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C19H17F3N4O2/c1-18(2,3)14-10-13(8-9-23-14)24-16(27)12-6-4-11(5-7-12)15-25-17(28-26-15)19(20,21)22/h4-10H,1-3H3,(H,23,24,27)
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| InChIKey |
CEMDGSJFCGBITC-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