General Information of the Compound
| Compound ID |
CP0457945
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| Compound Name |
N-(5-aminopentyl)-2-(1H-indol-3-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
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| Structure |
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| Formula |
C24H28F3N3O
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| Molecular Weight |
431.502
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| Canonical SMILES |
CC(N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N3O/c1-17(18-9-11-20(12-10-18)24(25,26)27)30(14-6-2-5-13-28)23(31)15-19-16-29-22-8-4-3-7-21(19)22/h3-4,7-12,16-17,29H,2,5-6,13-15,28H2,1H3
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| InChIKey |
QSFONRPIBFZHKU-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