General Information of the Compound
| Compound ID |
CP0442485
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-fluorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C32H42FN3O
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| Molecular Weight |
503.706
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| Canonical SMILES |
NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2
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| InChIKey |
AMKOEUKZHYTCTR-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