General Information of the Compound
| Compound ID |
CP0464521
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| Compound Name |
N-[[4-(aminomethyl)phenyl]methyl]-4-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
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| Structure |
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| Formula |
C29H31N3O
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| Molecular Weight |
437.587
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| Canonical SMILES |
NCc1ccc(CN(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C29H31N3O/c30-20-24-15-17-25(18-16-24)22-32(19-7-10-23-8-2-1-3-9-23)29(33)14-6-11-26-21-31-28-13-5-4-12-27(26)28/h1-5,7-10,12-13,15-18,21,31H,6,11,14,19-20,22,30H2/b10-7+
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| InChIKey |
ANPURGCLFHDOSR-JXMROGBWSA-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