General Information of the Compound
| Compound ID |
CP0370229
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-methanesulfonylamino-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C30H34ClN5O4S
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| Molecular Weight |
596.153
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| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C30H34ClN5O4S/c1-41(39,40)34-25-8-4-5-9-28(25)35-14-16-36(17-15-35)30(38)27(18-21-10-12-24(31)13-11-21)33-29(37)26-19-22-6-2-3-7-23(22)20-32-26/h2-13,26-27,32,34H,14-20H2,1H3,(H,33,37)/t26-,27-/m1/s1
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| InChIKey |
DOQXGQVRPIRXJG-KAYWLYCHSA-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