General Information of the Compound
| Compound ID |
CP0538068
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| Compound Name |
5-cyclopropyl-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C19H18N4O3S2
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| Molecular Weight |
414.512
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| Canonical SMILES |
C[C@@H](NC(=O)c1nc(sc1C1CC1)-c1nccs1)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C19H18N4O3S2/c1-10(11-2-6-13(7-3-11)16(24)23-26)21-17(25)14-15(12-4-5-12)28-19(22-14)18-20-8-9-27-18/h2-3,6-10,12,26H,4-5H2,1H3,(H,21,25)(H,23,24)/t10-/m1/s1
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| InChIKey |
GVBDKSWKGOTDLU-SNVBAGLBSA-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