General Information of the Compound
| Compound ID |
CP0368589
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| Compound Name |
2-chloro-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-ethoxy-N-[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]benzamide
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| Structure |
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| Formula |
C30H40ClN5O5S2
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| Molecular Weight |
650.267
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1C[C@H](C)O[C@H](C)C1)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1
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| InChI |
InChI=1S/C30H40ClN5O5S2/c1-5-40-27-17-24(31)23(16-26(27)36-18-20(2)41-21(3)19-36)29(37)33-30-32-25-8-7-22(15-28(25)42-30)43(38,39)14-6-9-35-12-10-34(4)11-13-35/h7-8,15-17,20-21H,5-6,9-14,18-19H2,1-4H3,(H,32,33,37)/t20-,21+
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| InChIKey |
WCFUZKVSNQNKIS-OYRHEFFESA-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