General Information of the Compound
| Compound ID |
CP0432760
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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-(1,1-dioxo-1lambda*6*-isothiazolidin-2-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C34H45ClN4O4S
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| Molecular Weight |
641.278
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1
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| InChIKey |
DTYOAGHBUMBHBH-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