General Information of the Compound
| Compound ID |
CP0441673
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| Compound Name |
1-(3-((2S,4R)-1-((R)-2-amino-3-phenylpropanoyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl)propyl)guanidine
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| Structure |
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| Formula |
C28H35N5O2
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| Molecular Weight |
473.621
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| Canonical SMILES |
N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C28H35N5O2/c29-26(16-20-7-2-1-3-8-20)27(34)33-18-25(17-24(33)11-6-14-32-28(30)31)35-19-21-12-13-22-9-4-5-10-23(22)15-21/h1-5,7-10,12-13,15,24-26H,6,11,14,16-19,29H2,(H4,30,31,32)/t24-,25+,26+/m0/s1
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| InChIKey |
ZPOQUKYSTRZAFA-JIMJEQGWSA-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