General Information of the Compound
| Compound ID |
CP0475493
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| Compound Name |
N-[(1R)-1-[5-[(1R)-1-acetamido-2-phenylethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-4,6-difluoropyridine-2-carboxamide
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| Structure |
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| Formula |
C36H33F2N7O3
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| Molecular Weight |
649.702
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1
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| InChI |
InChI=1S/C36H33F2N7O3/c1-22(46)40-30(16-23-8-4-3-5-9-23)34-43-44-35(45(34)21-24-12-14-27(48-2)15-13-24)31(17-25-20-39-29-11-7-6-10-28(25)29)42-36(47)32-18-26(37)19-33(38)41-32/h3-15,18-20,30-31,39H,16-17,21H2,1-2H3,(H,40,46)(H,42,47)/t30-,31-/m1/s1
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| InChIKey |
WBOYZCPFUUADKG-FIRIVFDPSA-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