General Information of the Compound
| Compound ID |
CP0038703
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| Compound Name |
6-{3-[2-Butyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-benzimidazole-5-carbonyl]-ureido}-hexanoic acidhydroxyamide
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| Structure |
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| Formula |
C25H38N6O4
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| Molecular Weight |
486.617
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| Canonical SMILES |
CCCCc1nc2cc(ccc2n1CCN1CCCC1)C(=O)NC(=O)NCCCCCC(=O)NO
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| InChI |
InChI=1S/C25H38N6O4/c1-2-3-9-22-27-20-18-19(11-12-21(20)31(22)17-16-30-14-7-8-15-30)24(33)28-25(34)26-13-6-4-5-10-23(32)29-35/h11-12,18,35H,2-10,13-17H2,1H3,(H,29,32)(H2,26,28,33,34)
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| InChIKey |
RYJVQXRRTHIVGC-UHFFFAOYSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 3520 nM
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