General Information of the Compound
| Compound ID |
CP0902997
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| Compound Name |
(S)-N-(5-(2-chlorobenzamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
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| Formula |
C29H26ClN5O2S
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| Molecular Weight |
544.08
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| Canonical SMILES |
O=C(N[C@@H](CCCCNC(=O)c1ccccc1Cl)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
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| InChI |
InChI=1S/C29H26ClN5O2S/c30-23-10-4-3-9-22(23)28(36)32-14-6-5-11-24(35-29(37)26-17-31-18-38-26)27-33-16-25(34-27)21-13-12-19-7-1-2-8-20(19)15-21/h1-4,7-10,12-13,15-18,24H,5-6,11,14H2,(H,32,36)(H,33,34)(H,35,37)/t24-/m0/s1
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| InChIKey |
DFUITNOBMBNHBF-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