General Information of the Compound
| Compound ID |
CP0421803
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
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| Structure |
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| Formula |
C33H45N3OS
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| Molecular Weight |
531.81
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| Canonical SMILES |
CSc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C33H45N3OS/c1-38-30-19-13-26(14-20-30)23-36(29-17-11-25(12-18-29)21-24-9-15-28(34)16-10-24)33(37)8-4-5-27-22-35-32-7-3-2-6-31(27)32/h2-3,6-7,13-14,19-20,22,24-25,28-29,35H,4-5,8-12,15-18,21,23,34H2,1H3
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| InChIKey |
IWOPRZMZQPHJTB-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