General Information of the Compound
| Compound ID |
CP0898602
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| Compound Name |
(S)-N-(5-(2-hydroxy-6-methoxybenzamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
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| Formula |
C30H29N5O4S
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| Molecular Weight |
555.66
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| Canonical SMILES |
COc1cccc(O)c1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
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| InChI |
InChI=1S/C30H29N5O4S/c1-39-25-11-6-10-24(36)27(25)30(38)32-14-5-4-9-22(35-29(37)26-17-31-18-40-26)28-33-16-23(34-28)21-13-12-19-7-2-3-8-20(19)15-21/h2-3,6-8,10-13,15-18,22,36H,4-5,9,14H2,1H3,(H,32,38)(H,33,34)(H,35,37)/t22-/m0/s1
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| InChIKey |
BUYXRPOASRGKHF-QFIPXVFZSA-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: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3