General Information of the Compound
| Compound ID |
CP0376438
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| Compound Name |
(S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C39H46N6O4
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| Molecular Weight |
662.835
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C39H46N6O4/c1-27(46)43-35(22-28-11-4-2-5-12-28)37(47)44-36(23-29-13-6-3-7-14-29)38(48)45-25-34(24-33(45)17-10-20-42-39(40)41)49-26-30-18-19-31-15-8-9-16-32(31)21-30/h2-9,11-16,18-19,21,33-36H,10,17,20,22-26H2,1H3,(H,43,46)(H,44,47)(H4,40,41,42)/t33-,34+,35-,36+/m0/s1
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| InChIKey |
JMAZWXVWUNQOOV-IHUVGRGJSA-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