General Information of the Compound
| Compound ID |
CP0437205
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C35H49N3O3
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| Molecular Weight |
559.795
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| Canonical SMILES |
CCOc1cc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)ccc1OC
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| InChI |
InChI=1S/C35H49N3O3/c1-3-41-34-22-27(15-20-33(34)40-2)24-38(30-18-13-26(14-19-30)21-25-11-16-29(36)17-12-25)35(39)10-6-7-28-23-37-32-9-5-4-8-31(28)32/h4-5,8-9,15,20,22-23,25-26,29-30,37H,3,6-7,10-14,16-19,21,24,36H2,1-2H3
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| InChIKey |
DPVIKABSFORINW-UHFFFAOYSA-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: PT01440, Melanocyte-stimulating hormone receptor