General Information of the Compound
| Compound ID |
CP0444965
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| Compound Name |
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H24N4O3S2
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| Molecular Weight |
468.604
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| Canonical SMILES |
C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C23H24N4O3S2/c1-12(13-6-10-15(11-7-13)20(28)27-30)24-21(29)18-19(14-8-9-14)32-23(26-18)22-25-16-4-2-3-5-17(16)31-22/h6-7,10-12,14,30H,2-5,8-9H2,1H3,(H,24,29)(H,27,28)/t12-/m0/s1
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| InChIKey |
MIMRQUUGDOYHSE-LBPRGKRZSA-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