General Information of the Compound
| Compound ID |
CP0442984
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
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| Structure |
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| Formula |
C35H47N3O
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| Molecular Weight |
525.781
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| Canonical SMILES |
NC1CCC(CC2CCC(CC2)N(C2CCc3ccccc3C2)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C35H47N3O/c36-30-17-12-25(13-18-30)22-26-14-19-31(20-15-26)38(32-21-16-27-6-1-2-7-28(27)23-32)35(39)11-5-8-29-24-37-34-10-4-3-9-33(29)34/h1-4,6-7,9-10,24-26,30-32,37H,5,8,11-23,36H2
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| InChIKey |
FKFNETKTGLNWAG-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