General Information of the Compound
| Compound ID |
CP0475562
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| Compound Name |
2-amino-N-[(1R)-1-[5-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C34H38N8O2
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| Molecular Weight |
590.732
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](N)Cc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C34H38N8O2/c1-34(2,36)33(43)39-30(17-23-19-38-29-11-7-5-9-26(23)29)32-41-40-31(42(32)20-21-12-14-24(44-3)15-13-21)27(35)16-22-18-37-28-10-6-4-8-25(22)28/h4-15,18-19,27,30,37-38H,16-17,20,35-36H2,1-3H3,(H,39,43)/t27-,30-/m1/s1
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| InChIKey |
MQLCJXCOIKRMFV-POURPWNDSA-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