General Information of the Compound
| Compound ID |
CP0525468
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| Compound Name |
2-chloro-4-ethoxy-N-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]-5-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C28H35ClN6O4S
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| Molecular Weight |
587.146
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)N(C)C(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1
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| InChI |
InChI=1S/C28H35ClN6O4S/c1-4-39-24-17-21(29)20(16-23(24)35-11-13-38-14-12-35)26(36)33(3)28(37)31-27-30-22-6-5-19(15-25(22)40-27)18-34-9-7-32(2)8-10-34/h5-6,15-17H,4,7-14,18H2,1-3H3,(H,30,31,37)
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| InChIKey |
AXBPFEFMNUBLBT-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