General Information of the Compound
| Compound ID |
CP0425716
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(3,4-dimethoxyphenyl)methyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C34H47N3O3
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| Molecular Weight |
545.768
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| Canonical SMILES |
COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC
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| InChI |
InChI=1S/C34H47N3O3/c1-39-32-19-14-26(21-33(32)40-2)23-37(29-17-12-25(13-18-29)20-24-10-15-28(35)16-11-24)34(38)9-5-6-27-22-36-31-8-4-3-7-30(27)31/h3-4,7-8,14,19,21-22,24-25,28-29,36H,5-6,9-13,15-18,20,23,35H2,1-2H3
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| InChIKey |
PASWAGSVYIKPCT-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