General Information of the Compound
| Compound ID |
CP0395396
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| Compound Name |
(S)-2-acetamido-N1-((R)-1-((2R,4R)-2-(2-guanidinoethylcarbamoyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)pentanediamide
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| Structure |
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| Formula |
C35H44N8O6
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| Molecular Weight |
672.787
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| Canonical SMILES |
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C35H44N8O6/c1-22(44)41-28(13-14-31(36)45)32(46)42-29(18-23-7-3-2-4-8-23)34(48)43-20-27(19-30(43)33(47)39-15-16-40-35(37)38)49-21-24-11-12-25-9-5-6-10-26(25)17-24/h2-12,17,27-30H,13-16,18-21H2,1H3,(H2,36,45)(H,39,47)(H,41,44)(H,42,46)(H4,37,38,40)/t27-,28+,29-,30-/m1/s1
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| InChIKey |
ZQUWNPZLQBVXOY-GOGZTAQTSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor