General Information of the Compound
| Compound ID |
CP0421934
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-[(2-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 |
Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C33H45N3O/c1-24-7-2-3-8-28(24)23-36(30-19-15-26(16-20-30)21-25-13-17-29(34)18-14-25)33(37)12-6-9-27-22-35-32-11-5-4-10-31(27)32/h2-5,7-8,10-11,22,25-26,29-30,35H,6,9,12-21,23,34H2,1H3
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| InChIKey |
IDOPPNYMQVVOJO-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor