General Information of the Compound
| Compound ID |
CP0378145
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[1-(piperidin-3-ylamino)-ethyl]-phenyl}-piperazin-1-yl)-ethyl]-amide
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| Structure |
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| Formula |
C36H45ClN6O2
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| Molecular Weight |
629.249
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| Canonical SMILES |
CC(NC1CCCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C36H45ClN6O2/c1-25(40-30-9-6-16-38-24-30)31-10-4-5-11-34(31)42-17-19-43(20-18-42)36(45)33(21-26-12-14-29(37)15-13-26)41-35(44)32-22-27-7-2-3-8-28(27)23-39-32/h2-5,7-8,10-15,25,30,32-33,38-40H,6,9,16-24H2,1H3,(H,41,44)/t25?,30?,32-,33-/m1/s1
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| InChIKey |
NKVAOVHVGQNSIX-CVZNUHMCSA-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