General Information of the Compound
| Compound ID |
CP0485886
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| Compound Name |
(2R,4R)-1-((R)-2-((S)-2-acetamido-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanoyl)-N-(2-guanidinoethyl)-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C39H45N7O6
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| Molecular Weight |
707.832
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc(O)cc1)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/C39H45N7O6/c1-25(47)44-33(20-27-12-15-31(48)16-13-27)36(49)45-34(21-26-7-3-2-4-8-26)38(51)46-23-32(22-35(46)37(50)42-17-18-43-39(40)41)52-24-28-11-14-29-9-5-6-10-30(29)19-28/h2-16,19,32-35,48H,17-18,20-24H2,1H3,(H,42,50)(H,44,47)(H,45,49)(H4,40,41,43)/t32-,33+,34-,35-/m1/s1
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| InChIKey |
VZGJDZXPTNTGFA-AOJHZZQJSA-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