General Information of the Compound
| Compound ID |
CP0508972
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| Compound Name |
US9056843, 40
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| Structure |
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| Formula |
C16H14F3N5O2
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| Molecular Weight |
365.315
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NCCCn1ccnc1
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| InChI |
InChI=1S/C16H14F3N5O2/c17-16(18,19)15-22-13(23-26-15)11-2-4-12(5-3-11)14(25)21-6-1-8-24-9-7-20-10-24/h2-5,7,9-10H,1,6,8H2,(H,21,25)
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| InChIKey |
LKODDWQUWKQCNK-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