General Information of the Compound
| Compound ID |
CP0437834
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| Compound Name |
N-[[3-(aminomethyl)cyclohexyl]methyl]-N-benzyl-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C27H35N3O
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| Molecular Weight |
417.597
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| Canonical SMILES |
NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1
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| InChI |
InChI=1S/C27H35N3O/c28-17-22-10-6-11-23(16-22)20-30(19-21-8-2-1-3-9-21)27(31)15-7-12-24-18-29-26-14-5-4-13-25(24)26/h1-5,8-9,13-14,18,22-23,29H,6-7,10-12,15-17,19-20,28H2
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| InChIKey |
MVOCLUVYCDHXAF-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