General Information of the Compound
| Compound ID |
CP0421908
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(3-bromo-4-methoxyphenyl)methyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
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| Structure |
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| Formula |
C40H50BrN3O3
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| Molecular Weight |
700.762
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| Canonical SMILES |
COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1Br
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| InChI |
InChI=1S/C40H50BrN3O3/c1-47-39-22-15-30(24-36(39)41)26-44(32-18-11-28(12-19-32)23-27-9-16-31(42)17-10-27)40(46)8-4-6-35-34-5-2-3-7-37(34)43-38(35)25-29-13-20-33(45)21-14-29/h2-3,5,7,13-15,20-22,24,27-28,31-32,43,45H,4,6,8-12,16-19,23,25-26,42H2,1H3
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| InChIKey |
FCVNTBUKCMGQRL-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor