General Information of the Compound
| Compound ID |
CP0336828
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| Compound Name |
N-(2-aminophenyl)-4-[[6-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide
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| Structure |
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| Formula |
C27H29N5O2S2
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| Molecular Weight |
519.696
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCCN4CCOCC4)cc3s2)cc1
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| InChI |
InChI=1S/C27H29N5O2S2/c28-22-3-1-2-4-23(22)30-26(33)20-7-5-19(6-8-20)18-35-27-31-24-10-9-21(17-25(24)36-27)29-11-12-32-13-15-34-16-14-32/h1-10,17,29H,11-16,18,28H2,(H,30,33)
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| InChIKey |
TWGZILOJVHVTLA-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 = 200 nM
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