General Information of the Compound
| Compound ID |
CP0460887
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-dimethylaminomethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C32H38ClN5O2
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| Molecular Weight |
560.142
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| Canonical SMILES |
CN(C)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C32H38ClN5O2/c1-36(2)22-26-9-5-6-10-30(26)37-15-17-38(18-16-37)32(40)29(19-23-11-13-27(33)14-12-23)35-31(39)28-20-24-7-3-4-8-25(24)21-34-28/h3-14,28-29,34H,15-22H2,1-2H3,(H,35,39)/t28-,29-/m1/s1
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| InChIKey |
VJWZUOKQCXSJRH-FQLXRVMXSA-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