General Information of the Compound
| Compound ID |
CP0421917
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| Compound Name |
4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-aminobutyl)-N-benzylbutanamide
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| Structure |
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| Formula |
C30H35N3O2
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| Molecular Weight |
469.629
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| Canonical SMILES |
NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C30H35N3O2/c31-19-6-7-20-33(22-24-9-2-1-3-10-24)30(35)14-8-12-27-26-11-4-5-13-28(26)32-29(27)21-23-15-17-25(34)18-16-23/h1-5,9-11,13,15-18,32,34H,6-8,12,14,19-22,31H2
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| InChIKey |
RCUXGSSOHNIFNM-UHFFFAOYSA-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