General Information of the Compound
| Compound ID |
CP0449030
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| Compound Name |
3-Amino-N-((R)-1-(2,4-dichloro-benzyl)-2-oxo-2-{4-[1-(phenethylamino-methyl)-cyclohexyl]-piperazin-1-yl}-ethyl)-propionamide
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| Structure |
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| Formula |
C31H43Cl2N5O2
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| Molecular Weight |
588.624
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| Canonical SMILES |
NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCCc2ccccc2)CCCCC1
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| InChI |
InChI=1S/C31H43Cl2N5O2/c32-26-10-9-25(27(33)22-26)21-28(36-29(39)11-15-34)30(40)37-17-19-38(20-18-37)31(13-5-2-6-14-31)23-35-16-12-24-7-3-1-4-8-24/h1,3-4,7-10,22,28,35H,2,5-6,11-21,23,34H2,(H,36,39)/t28-/m1/s1
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| InChIKey |
AJQRPIIDOYMRCS-MUUNZHRXSA-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