General Information of the Compound
| Compound ID |
CP0442501
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| Compound Name |
N-(5-aminopentyl)-N-[[4-(diethylamino)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C28H40N4O
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| Molecular Weight |
448.655
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| Canonical SMILES |
CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C28H40N4O/c1-3-31(4-2)25-17-15-23(16-18-25)22-32(20-9-5-8-19-29)28(33)14-10-11-24-21-30-27-13-7-6-12-26(24)27/h6-7,12-13,15-18,21,30H,3-5,8-11,14,19-20,22,29H2,1-2H3
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| InChIKey |
WYTGBBCSABEMGY-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