General Information of the Compound
| Compound ID |
CP0464537
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| Compound Name |
(E)-N-(6-aminohexyl)-5-hydroxy-N-(2-methyl-3-phenylallyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
C\C(CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1)=C/c1ccccc1
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| InChI |
InChI=1S/C25H31N3O2/c1-19(15-20-9-5-4-6-10-20)18-28(14-8-3-2-7-13-26)25(30)24-17-21-16-22(29)11-12-23(21)27-24/h4-6,9-12,15-17,27,29H,2-3,7-8,13-14,18,26H2,1H3/b19-15+
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| InChIKey |
QAXDSQCFOWMWDM-XDJHFCHBSA-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