General Information of the Compound
| Compound ID |
CP0385352
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| Compound Name |
N-[(1R)-1-[5-[(1S)-1-acetamido-2-phenylethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C34H39N7O3
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| Molecular Weight |
593.732
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C34H39N7O3/c1-22(42)37-29(18-23-10-6-5-7-11-23)31-39-40-32(41(31)21-24-14-16-26(44-4)17-15-24)30(38-33(43)34(2,3)35)19-25-20-36-28-13-9-8-12-27(25)28/h5-17,20,29-30,36H,18-19,21,35H2,1-4H3,(H,37,42)(H,38,43)/t29-,30+/m0/s1
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| InChIKey |
RFENXHFGTAFVTC-XZWHSSHBSA-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