General Information of the Compound
| Compound ID |
CP0475492
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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]-3,4-dihydro-2H-pyran-6-carboxamide
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| Structure |
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| Formula |
C36H38N6O4
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| Molecular Weight |
618.738
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1
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| InChI |
InChI=1S/C36H38N6O4/c1-24(43)38-31(20-25-10-4-3-5-11-25)34-40-41-35(42(34)23-26-15-17-28(45-2)18-16-26)32(39-36(44)33-14-8-9-19-46-33)21-27-22-37-30-13-7-6-12-29(27)30/h3-7,10-18,22,31-32,37H,8-9,19-21,23H2,1-2H3,(H,38,43)(H,39,44)/t31-,32-/m1/s1
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| InChIKey |
SFFGKVUDXGNQIY-ROJLCIKYSA-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