General Information of the Compound
| Compound ID |
CP0424308
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(3,4-dimethoxyphenyl)methyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
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| Structure |
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| Formula |
C41H53N3O4
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| Molecular Weight |
651.892
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| Canonical SMILES |
COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
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| InChI |
InChI=1S/C41H53N3O4/c1-47-39-23-16-31(26-40(39)48-2)27-44(33-19-12-29(13-20-33)24-28-10-17-32(42)18-11-28)41(46)9-5-7-36-35-6-3-4-8-37(35)43-38(36)25-30-14-21-34(45)22-15-30/h3-4,6,8,14-16,21-23,26,28-29,32-33,43,45H,5,7,9-13,17-20,24-25,27,42H2,1-2H3
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| InChIKey |
RHHFEVOGRBSEML-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