General Information of the Compound
| Compound ID |
CP0442500
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| Compound Name |
N-(8-aminooctyl)-3-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
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| Structure |
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| Formula |
C28H37N3O
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| Molecular Weight |
431.624
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| Canonical SMILES |
NCCCCCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C28H37N3O/c29-20-10-3-1-2-4-11-21-31(22-12-15-24-13-6-5-7-14-24)28(32)19-18-25-23-30-27-17-9-8-16-26(25)27/h5-9,12-17,23,30H,1-4,10-11,18-22,29H2/b15-12+
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| InChIKey |
QALNPRNSRRINJA-NTCAYCPXSA-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