General Information of the Compound
| Compound ID |
CP0437831
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| Compound Name |
N-[[4-(diethylamino)phenyl]methyl]-4-(1H-indol-3-yl)-N-pentylbutanamide
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| Structure |
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| Formula |
C28H39N3O
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| Molecular Weight |
433.64
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| Canonical SMILES |
CCCCCN(Cc1ccc(cc1)N(CC)CC)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C28H39N3O/c1-4-7-10-20-31(22-23-16-18-25(19-17-23)30(5-2)6-3)28(32)15-11-12-24-21-29-27-14-9-8-13-26(24)27/h8-9,13-14,16-19,21,29H,4-7,10-12,15,20,22H2,1-3H3
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| InChIKey |
FQXQUYQQAFAGFN-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: PT00914, Melanocortin receptor 4
Protein ID: PT01440, Melanocyte-stimulating hormone receptor