General Information of the Compound
| Compound ID |
CP0484851
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| Compound Name |
US9056843, 60
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| Structure |
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| Formula |
C21H25F3N4O4
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| Molecular Weight |
454.449
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCCCC1NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F3N4O4/c1-20(2,3)31-19(30)26-15-7-5-4-6-14(15)25-17(29)13-10-8-12(9-11-13)16-27-18(32-28-16)21(22,23)24/h8-11,14-15H,4-7H2,1-3H3,(H,25,29)(H,26,30)
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| InChIKey |
SJXPNFQVEDVGNN-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