General Information of the Compound
| Compound ID |
CP0444967
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| Compound Name |
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C26H24N4O4S2
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| Molecular Weight |
520.636
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(s1)-c1nc(C(=O)N[C@@H](C)c2ccc(cc2)C(=O)NO)c(s1)C1CC1
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| InChI |
InChI=1S/C26H24N4O4S2/c1-14(15-3-7-18(8-4-15)23(31)30-33)28-24(32)21-22(17-5-6-17)36-26(29-21)25-27-13-20(35-25)16-9-11-19(34-2)12-10-16/h3-4,7-14,17,33H,5-6H2,1-2H3,(H,28,32)(H,30,31)/t14-/m0/s1
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| InChIKey |
UKSQDSBVFNMTIY-AWEZNQCLSA-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