General Information of the Compound
| Compound ID |
CP0393003
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| Compound Name |
N-[(1R)-1-[2-[4-[(2R)-3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-6-methylpyridin-3-yl]-3-methylbutyl]-3-(dimethylamino)propanamide
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| Structure |
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| Formula |
C30H43Cl2N5O2
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| Molecular Weight |
576.613
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C30H43Cl2N5O2/c1-20(2)17-27(34-28(38)11-12-35(5)6)25-10-7-22(4)33-29(25)36-13-15-37(16-14-36)30(39)21(3)18-23-8-9-24(31)19-26(23)32/h7-10,19-21,27H,11-18H2,1-6H3,(H,34,38)/t21-,27-/m1/s1
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| InChIKey |
GLNBATBKCBLDAT-JIPXPUAJSA-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