General Information of the Compound
| Compound ID |
CP0367161
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| Compound Name |
2-chloro-4-ethoxy-N-[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]-5-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C26H32ClN5O3S
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| Molecular Weight |
530.094
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1
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| InChI |
InChI=1S/C26H32ClN5O3S/c1-3-35-23-16-20(27)19(15-22(23)32-10-12-34-13-11-32)25(33)29-26-28-21-5-4-18(14-24(21)36-26)17-31-8-6-30(2)7-9-31/h4-5,14-16H,3,6-13,17H2,1-2H3,(H,28,29,33)
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| InChIKey |
OFCNWKRWXKFYNW-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