General Information of the Compound
| Compound ID |
CP0421933
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]-N-[(2-methylphenyl)methyl]butanamide
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| Structure |
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| Formula |
C40H51N3O2
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| Molecular Weight |
605.867
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| Canonical SMILES |
Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C40H51N3O2/c1-28-7-2-3-8-32(28)27-43(34-21-15-30(16-22-34)25-29-13-19-33(41)20-14-29)40(45)12-6-10-37-36-9-4-5-11-38(36)42-39(37)26-31-17-23-35(44)24-18-31/h2-5,7-9,11,17-18,23-24,29-30,33-34,42,44H,6,10,12-16,19-22,25-27,41H2,1H3
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| InChIKey |
FKMGJEXXKIBPAS-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