General Information of the Compound
| Compound ID |
CP0421910
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-[(3-methylphenyl)methyl]butanamide
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| Structure |
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| Formula |
C33H45N3O
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| Molecular Weight |
499.743
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| Canonical SMILES |
Cc1cccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)c1
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| InChI |
InChI=1S/C33H45N3O/c1-24-6-4-7-27(20-24)23-36(30-18-14-26(15-19-30)21-25-12-16-29(34)17-13-25)33(37)11-5-8-28-22-35-32-10-3-2-9-31(28)32/h2-4,6-7,9-10,20,22,25-26,29-30,35H,5,8,11-19,21,23,34H2,1H3
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| InChIKey |
XOPULFUXQZGWPS-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