General Information of the Compound
| Compound ID |
CP0421931
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C36H48BrN3O3
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| Molecular Weight |
650.702
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| Canonical SMILES |
COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC
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| InChI |
InChI=1S/C36H48BrN3O3/c1-42-34-22-27(32(37)23-35(34)43-2)8-6-20-40(30-18-14-26(15-19-30)21-25-12-16-29(38)17-13-25)36(41)11-5-7-28-24-39-33-10-4-3-9-31(28)33/h3-4,6,8-10,22-26,29-30,39H,5,7,11-21,38H2,1-2H3/b8-6+
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| InChIKey |
MEDOEJBMXFGMBH-SOFGYWHQSA-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: PT01440, Melanocyte-stimulating hormone receptor