General Information of the Compound
| Compound ID |
CP0435767
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(3-bromo-4-methoxyphenyl)methyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C33H44BrN3O2
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| Molecular Weight |
594.638
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| Canonical SMILES |
COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1Br
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| InChI |
InChI=1S/C33H44BrN3O2/c1-39-32-18-13-25(20-30(32)34)22-37(28-16-11-24(12-17-28)19-23-9-14-27(35)15-10-23)33(38)8-4-5-26-21-36-31-7-3-2-6-29(26)31/h2-3,6-7,13,18,20-21,23-24,27-28,36H,4-5,8-12,14-17,19,22,35H2,1H3
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| InChIKey |
GFLHUCRKZNPWGK-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: PT01440, Melanocyte-stimulating hormone receptor