General Information of the Compound
| Compound ID |
CP0449789
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| Compound Name |
N-[[4-(aminomethyl)phenyl]methyl]-4-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)butanamide
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| Structure |
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| Formula |
C31H31N3O
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| Molecular Weight |
461.609
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| Canonical SMILES |
NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C31H31N3O/c32-19-23-12-14-24(15-13-23)21-34(22-25-16-17-26-6-1-2-7-27(26)18-25)31(35)11-5-8-28-20-33-30-10-4-3-9-29(28)30/h1-4,6-7,9-10,12-18,20,33H,5,8,11,19,21-22,32H2
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| InChIKey |
LBRUFMGBRCJUOL-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