General Information of the Compound
| Compound ID |
CP0496016
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| Compound Name |
(R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)pyridin-2-yl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)-3-aminopropanamide
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| Structure |
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| Formula |
C31H38Cl2N6O3
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| Molecular Weight |
613.59
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| Canonical SMILES |
COc1ccccc1CCNCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
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| InChI |
InChI=1S/C31H38Cl2N6O3/c1-42-28-7-3-2-5-22(28)11-14-35-21-24-6-4-13-36-30(24)38-15-17-39(18-16-38)31(41)27(37-29(40)10-12-34)19-23-8-9-25(32)20-26(23)33/h2-9,13,20,27,35H,10-12,14-19,21,34H2,1H3,(H,37,40)/t27-/m1/s1
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| InChIKey |
NOPGXMCLYVZPNC-HHHXNRCGSA-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