General Information of the Compound
| Compound ID |
CP0457938
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| Compound Name |
N-(1-adamantyl)-N-(4-aminobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
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| Structure |
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| Formula |
C33H40ClN3O3
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| Molecular Weight |
562.154
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C34CC5CC(CC(C5)C3)C4)c2c1
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| InChI |
InChI=1S/C33H40ClN3O3/c1-21-28(29-16-27(40-2)9-10-30(29)37(21)32(39)25-5-7-26(34)8-6-25)17-31(38)36(12-4-3-11-35)33-18-22-13-23(19-33)15-24(14-22)20-33/h5-10,16,22-24H,3-4,11-15,17-20,35H2,1-2H3
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| InChIKey |
ARYXHCOOGIRDOL-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