General Information of the Compound
| Compound ID |
CP0305713
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| Compound Name |
6-{3-[3-nitro-4-(2-pyrrolidin-1-yl-ethylamino)-benzoyl]-ureido}-hexanoic acidhydroxyamide
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| Structure |
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| Formula |
C20H30N6O6
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| Molecular Weight |
450.496
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| Canonical SMILES |
ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NCCN2CCCC2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H30N6O6/c27-18(24-30)6-2-1-3-9-22-20(29)23-19(28)15-7-8-16(17(14-15)26(31)32)21-10-13-25-11-4-5-12-25/h7-8,14,21,30H,1-6,9-13H2,(H,24,27)(H2,22,23,28,29)
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| InChIKey |
KOZUJMASVPMOKH-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 | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 920 nM
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| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 990 nM
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