General Information of the Compound
| Compound ID |
CP0475749
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| Compound Name |
N-[(1R)-1-[5-[(1S)-1-amino-2-phenylethyl]-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 |
C34H33N7O2
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| Molecular Weight |
571.685
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@@H](N)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C34H33N7O2/c1-43-26-16-14-24(15-17-26)22-41-32(28(35)19-23-9-3-2-4-10-23)39-40-33(41)31(38-34(42)30-13-7-8-18-36-30)20-25-21-37-29-12-6-5-11-27(25)29/h2-18,21,28,31,37H,19-20,22,35H2,1H3,(H,38,42)/t28-,31+/m0/s1
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| InChIKey |
IXYGNNGNXNGTKZ-QCENPCRXSA-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