General Information of the Compound
| Compound ID |
CP0428485
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| Compound Name |
3-((R,E)-7-methyl-5-((1r,4R)-4-methylcyclohexyl)-4-methylene-8-phenyloct-7-enyl)-1H-indene
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| Formula |
C27H32ClN3O
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| Molecular Weight |
450.026
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)N(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H32ClN3O/c28-22(17-20-7-2-1-3-8-20)19-31(24-15-13-23(29)14-16-24)27(32)12-6-9-21-18-30-26-11-5-4-10-25(21)26/h1-5,7-8,10-11,17-18,23-24,30H,6,9,12-16,19,29H2/b22-17-/t23-,24-
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| InChIKey |
IQAHMMYQTATAQI-JBQZESRLSA-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