General Information of the Compound
| Compound ID |
CP0946826
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| Compound Name |
(S)-N-(5-(2-(1H-pyrrol-1-yl)benzamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
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| Formula |
C33H30N6O2S
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| Molecular Weight |
574.71
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| Canonical SMILES |
O=C(N[C@@H](CCCCNC(=O)c1ccccc1-n1cccc1)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
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| InChI |
InChI=1S/C33H30N6O2S/c40-32(26-11-3-4-13-29(26)39-17-7-8-18-39)35-16-6-5-12-27(38-33(41)30-21-34-22-42-30)31-36-20-28(37-31)25-15-14-23-9-1-2-10-24(23)19-25/h1-4,7-11,13-15,17-22,27H,5-6,12,16H2,(H,35,40)(H,36,37)(H,38,41)/t27-/m0/s1
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| InChIKey |
SBTGNYZKHDYVIO-MHZLTWQESA-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