General Information of the Compound
| Compound ID |
CP0388181
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| Compound Name |
(2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-phenylalanyl}-2-oxo-3-propyl-1-piperazinyl)-N-methyl-3-(2-naphthalenyl)propanamide
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| Structure |
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| Formula |
C33H39FN4O5
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| Molecular Weight |
590.696
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| Canonical SMILES |
CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC
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| InChI |
InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1
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| InChIKey |
VTKKYXSRNMKYHV-ULNSLHSMSA-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