General Information of the Compound
| Compound ID |
CP0081758
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| Compound Name |
(S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propanoyl)-3-(2-aminoethyl)-2-oxopiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide
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| Structure |
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| Formula |
C29H34FN5O3
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| Molecular Weight |
519.621
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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| InChIKey |
NODFZMIIOOJXQA-ZNZIZOMTSA-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