General Information of the Compound
| Compound ID |
CP0535089
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| Compound Name |
1-(2-chloro-4-ethoxy-5-morpholin-4-ylphenyl)-3-[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]urea
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| Structure |
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| Formula |
C26H33ClN6O3S
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| Molecular Weight |
545.109
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| Canonical SMILES |
CCOc1cc(Cl)c(NC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)cc1N1CCOCC1
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| InChI |
InChI=1S/C26H33ClN6O3S/c1-3-36-23-15-19(27)21(16-22(23)33-10-12-35-13-11-33)28-25(34)30-26-29-20-5-4-18(14-24(20)37-26)17-32-8-6-31(2)7-9-32/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,28,29,30,34)
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| InChIKey |
ONQZFYMAIMYOJF-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: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT04871, Hydroxycarboxylic acid receptor 1