General Information of the Compound
| Compound ID |
CP0367162
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| Compound Name |
2-chloro-4-ethoxy-N-[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]-5-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C28H36ClN5O5S2
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| Molecular Weight |
622.213
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1
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| InChI |
InChI=1S/C28H36ClN5O5S2/c1-3-39-25-19-22(29)21(18-24(25)34-12-14-38-15-13-34)27(35)31-28-30-23-6-5-20(17-26(23)40-28)41(36,37)16-4-7-33-10-8-32(2)9-11-33/h5-6,17-19H,3-4,7-16H2,1-2H3,(H,30,31,35)
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| InChIKey |
BOLHPHFIRKJXMT-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