General Information of the Compound
| Compound ID |
CP0423297
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| Compound Name |
5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C25H21FN4O3S2
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| Molecular Weight |
508.6
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| Canonical SMILES |
C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccc(F)cc1)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1
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| InChIKey |
DIKSIIHTWNLXJQ-ZDUSSCGKSA-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
Protein ID: PT01213, Histone deacetylase 6