General Information of the Compound
| Compound ID |
CP0849540
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| Compound Name |
3-(Difluoromethyl)-4-methylbenzyl 2-((benzo[d][1,3]-dioxol-5-ylmethyl)amino)-5-(3-hydroxy-3-methylbut-1-yn-1-yl)nicotinate
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| Structure |
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| Formula |
C28H27F2N3O4
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| Molecular Weight |
507.537
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| Canonical SMILES |
Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F
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| InChI |
InChI=1S/C28H27F2N3O4/c1-17-4-5-18(10-21(17)25(29)30)15-33-27(34)22-11-20(8-9-28(2,3)35)14-32-26(22)31-13-19-6-7-23-24(12-19)37-16-36-23/h4-7,10-12,14,25,35H,13,15-16H2,1-3H3,(H,31,32)(H,33,34)
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| InChIKey |
RNZLZCFOXVJREL-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: PT04916, Growth hormone secretagogue receptor type 1
Protein ID: PT01155, Growth hormone secretagogue receptor type 1