General Information of the Compound
| Compound ID |
CP0461944
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| Compound Name |
4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(6-aminohexyl)-N-benzylbutanamide
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| Structure |
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| Formula |
C32H39N3O2
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| Molecular Weight |
497.683
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| Canonical SMILES |
NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C32H39N3O2/c33-21-8-1-2-9-22-35(24-26-11-4-3-5-12-26)32(37)16-10-14-29-28-13-6-7-15-30(28)34-31(29)23-25-17-19-27(36)20-18-25/h3-7,11-13,15,17-20,34,36H,1-2,8-10,14,16,21-24,33H2
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| InChIKey |
HMTWRDDZQWHNDN-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