General Information of the Compound
| Compound ID |
CP0835239
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| Compound Name |
(S)-N-(5-(2-(methylamino)benzamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
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| Formula |
C30H30N6O2S
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| Molecular Weight |
538.677
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| Canonical SMILES |
CNc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
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| InChI |
InChI=1S/C30H30N6O2S/c1-31-24-11-5-4-10-23(24)29(37)33-15-7-6-12-25(36-30(38)27-18-32-19-39-27)28-34-17-26(35-28)22-14-13-20-8-2-3-9-21(20)16-22/h2-5,8-11,13-14,16-19,25,31H,6-7,12,15H2,1H3,(H,33,37)(H,34,35)(H,36,38)/t25-/m0/s1
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| InChIKey |
DMLMKQIHOFYZPV-VWLOTQADSA-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