General Information of the Compound
| Compound ID |
CP0749709
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| Compound Name |
(S)-N-(5-(2-hydroxy-4-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 |
COc1ccc(C(=O)NCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c(O)c1
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| InChI |
InChI=1S/C30H29N5O4S/c1-39-22-11-12-23(26(36)15-22)29(37)32-13-5-4-8-24(35-30(38)27-17-31-18-40-27)28-33-16-25(34-28)21-10-9-19-6-2-3-7-20(19)14-21/h2-3,6-7,9-12,14-18,24,36H,4-5,8,13H2,1H3,(H,32,37)(H,33,34)(H,35,38)/t24-/m0/s1
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| InChIKey |
FRJCSKILKMMUHL-DEOSSOPVSA-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