General Information of the Compound
| Compound ID |
CP0500307
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| Compound Name |
US9056843, 152
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| Structure |
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| Formula |
C18H22F4N4O2
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| Molecular Weight |
402.392
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| Canonical SMILES |
CCN(C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F)C(C)C
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| InChI |
InChI=1S/C18H22F4N4O2/c1-5-26(10(2)3)9-11(4)23-16(27)13-7-6-12(8-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-8,10-11H,5,9H2,1-4H3,(H,23,27)/t11-/m1/s1
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| InChIKey |
NITIVAZXKWXNAT-LLVKDONJSA-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