General Information of the Compound
| Compound ID |
CP0437137
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| Compound Name |
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-{[2-(2-fluoro-phenyl)-ethylamino]-methyl}-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C38H41ClFN5O2
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| Molecular Weight |
654.23
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| Canonical SMILES |
Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1
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| InChIKey |
TXSUTEHZKIBGJG-VSJLXWSYSA-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor