General Information of the Compound
| Compound ID |
CP0437208
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| Compound Name |
(E)-N-(3-aminopropyl)-2-(1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide
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| Structure |
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| Formula |
C23H27N3O
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| Molecular Weight |
361.489
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| Canonical SMILES |
C\C(CN(CCCN)C(=O)Cc1c[nH]c2ccccc12)=C/c1ccccc1
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| InChI |
InChI=1S/C23H27N3O/c1-18(14-19-8-3-2-4-9-19)17-26(13-7-12-24)23(27)15-20-16-25-22-11-6-5-10-21(20)22/h2-6,8-11,14,16,25H,7,12-13,15,17,24H2,1H3/b18-14+
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| InChIKey |
SWWHYIQXIIFCGV-NBVRZTHBSA-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