General Information of the Compound
| Compound ID |
CP0475561
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| Compound Name |
N-[(1R)-1-[5-[(1S)-1-formamido-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C37H34N8O3
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| Molecular Weight |
638.732
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@H](Cc2c[nH]c3ccccc23)NC=O)cc1
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| InChI |
InChI=1S/C37H34N8O3/c1-48-27-15-13-24(14-16-27)22-45-35(33(41-23-46)18-25-20-39-30-10-4-2-8-28(25)30)43-44-36(45)34(42-37(47)32-12-6-7-17-38-32)19-26-21-40-31-11-5-3-9-29(26)31/h2-17,20-21,23,33-34,39-40H,18-19,22H2,1H3,(H,41,46)(H,42,47)/t33-,34+/m0/s1
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| InChIKey |
KBUYGZMSNOITTD-SZAHLOSFSA-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