General Information of the Compound
| Compound ID |
CP0539625
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| Compound Name |
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C20H20N4O3S2
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| Molecular Weight |
428.539
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| Canonical SMILES |
C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(C)s1)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C20H20N4O3S2/c1-10-9-21-19(28-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1
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| InChIKey |
QJHZANZKPYWQHQ-NSHDSACASA-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