General Information of the Compound
| Compound ID |
CP0439612
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| Compound Name |
(E)-N-(5-aminopentyl)-3-(1H-indol-3-yl)-N-((Z)-2-methyl-3-phenylallyl)acrylamide
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| Structure |
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| Formula |
C26H31N3O
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| Molecular Weight |
401.554
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| Canonical SMILES |
C\C(CN(CCCCCN)C(=O)\C=C\c1c[nH]c2ccccc12)=C\c1ccccc1
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| InChI |
InChI=1S/C26H31N3O/c1-21(18-22-10-4-2-5-11-22)20-29(17-9-3-8-16-27)26(30)15-14-23-19-28-25-13-7-6-12-24(23)25/h2,4-7,10-15,18-19,28H,3,8-9,16-17,20,27H2,1H3/b15-14+,21-18-
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| InChIKey |
QXCVARRAVFHMKR-PTAMMSPXSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor