General Information of the Compound
| Compound ID |
CP0437833
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
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| Structure |
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| Formula |
C31H42N4O
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| Molecular Weight |
486.704
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| Canonical SMILES |
NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C31H42N4O/c32-26-15-11-23(12-16-26)20-24-13-17-28(18-14-24)35(22-27-7-3-4-19-33-27)31(36)10-5-6-25-21-34-30-9-2-1-8-29(25)30/h1-4,7-9,19,21,23-24,26,28,34H,5-6,10-18,20,22,32H2
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| InChIKey |
FAGDSQUHXREKBQ-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