General Information of the Compound
| Compound ID |
CP0517571
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| Compound Name |
2-chloro-4-ethoxy-N-[6-(1-methylpiperidin-4-yl)sulfonyl-1,3-benzothiazol-2-yl]-5-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C26H31ClN4O5S2
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| Molecular Weight |
579.144
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1
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| InChI |
InChI=1S/C26H31ClN4O5S2/c1-3-36-23-16-20(27)19(15-22(23)31-10-12-35-13-11-31)25(32)29-26-28-21-5-4-18(14-24(21)37-26)38(33,34)17-6-8-30(2)9-7-17/h4-5,14-17H,3,6-13H2,1-2H3,(H,28,29,32)
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| InChIKey |
KQVHRFLOJTVHON-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