General Information of the Compound
| Compound ID |
CP0382075
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| Compound Name |
(R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(5-oxo-6-oxa-4-aza-spiro[2.4]hept-4-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C36H45ClN4O4
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| Molecular Weight |
633.233
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1
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| InChIKey |
LDHOENQCWMSQTE-FIRIVFDPSA-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