General Information of the Compound
| Compound ID |
CP0503293
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| Compound Name |
1-{2-[(1S)-(1-Methyl-3-azetadinylcarbonyl)-amino-2-methylpropyl]-4-chlorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
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| Structure |
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| Formula |
C29H38Cl2N4O2
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| Molecular Weight |
545.555
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H38Cl2N4O2/c1-19(2)27(32-28(36)22-17-33(4)18-22)25-16-24(31)9-10-26(25)34-11-13-35(14-12-34)29(37)20(3)15-21-5-7-23(30)8-6-21/h5-10,16,19-20,22,27H,11-15,17-18H2,1-4H3,(H,32,36)/t20-,27+/m1/s1
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| InChIKey |
SYIWIZYUJLMOJX-HRFSGMKKSA-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