General Information of the Compound
| Compound ID |
CP0449486
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| Compound Name |
(Z)-N-(7-aminoheptyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C28H36ClN3O
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| Molecular Weight |
466.069
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| Canonical SMILES |
NCCCCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C28H36ClN3O/c29-25(20-23-12-5-4-6-13-23)22-32(19-10-3-1-2-9-18-30)28(33)17-11-14-24-21-31-27-16-8-7-15-26(24)27/h4-8,12-13,15-16,20-21,31H,1-3,9-11,14,17-19,22,30H2/b25-20-
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| InChIKey |
GPESEFZMRVAUGQ-QQTULTPQSA-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