General Information of the Compound
| Compound ID |
CP0442623
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| Compound Name |
1-{2-[(1S)-((2R)-Aminopropionamido)-2-methylpropyl]-4-chlorophenyl}-4-[(2R)-methyl-3-(2-methoxy-4-dichlorophenyl)propionyl]piperazine
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| Structure |
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| Formula |
C28H38Cl2N4O3
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| Molecular Weight |
549.543
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| Canonical SMILES |
COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](NC(=O)[C@@H](C)N)C(C)C
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| InChI |
InChI=1S/C28H38Cl2N4O3/c1-17(2)26(32-27(35)19(4)31)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)18(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-19,26H,10-14,31H2,1-5H3,(H,32,35)/t18-,19-,26+/m1/s1
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| InChIKey |
BGNHNMCZDLGXJG-UDCNLSRBSA-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