General Information of the Compound
| Compound ID |
CP0447867
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| Compound Name |
2-amino-N-[(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-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 |
C32H37N7O2
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| Molecular Weight |
551.695
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](N)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C32H37N7O2/c1-32(2,34)31(40)36-28(18-23-19-35-27-12-8-7-11-25(23)27)30-38-37-29(26(33)17-21-9-5-4-6-10-21)39(30)20-22-13-15-24(41-3)16-14-22/h4-16,19,26,28,35H,17-18,20,33-34H2,1-3H3,(H,36,40)/t26-,28-/m1/s1
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| InChIKey |
PYJJUYCZUODGJC-IXCJQBJRSA-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