General Information of the Compound
| Compound ID |
CP0436531
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| Compound Name |
(Z)-3-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(5-aminopentyl)-N-(3-phenylallyl)propanamide
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| Structure |
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| Formula |
C32H37N3O2
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| Molecular Weight |
495.667
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| Canonical SMILES |
NCCCCCN(C\C=C/c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C32H37N3O2/c33-21-7-2-8-22-35(23-9-12-25-10-3-1-4-11-25)32(37)20-19-29-28-13-5-6-14-30(28)34-31(29)24-26-15-17-27(36)18-16-26/h1,3-6,9-18,34,36H,2,7-8,19-24,33H2/b12-9-
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| InChIKey |
JNTKKFNAZFFUOB-XFXZXTDPSA-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