General Information of the Compound
| Compound ID |
CP0376483
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| Compound Name |
(S)-N-(4-Amino-butyl)-3-(4-benzyloxy-phenyl)-2-(3-benzyl-ureido)-propionamide
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
NCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C28H34N4O3/c29-17-7-8-18-30-27(33)26(32-28(34)31-20-23-9-3-1-4-10-23)19-22-13-15-25(16-14-22)35-21-24-11-5-2-6-12-24/h1-6,9-16,26H,7-8,17-21,29H2,(H,30,33)(H2,31,32,34)/t26-/m0/s1
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| InChIKey |
LJBHFCJUGLSHFE-SANMLTNESA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor