General Information of the Compound
| Compound ID |
CP0457936
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| Compound Name |
N-(5-aminopentyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
NCCCCCN(Cc1ccc2OCOc2c1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H31N3O3/c26-13-4-1-5-14-28(17-19-11-12-23-24(15-19)31-18-30-23)25(29)10-6-7-20-16-27-22-9-3-2-8-21(20)22/h2-3,8-9,11-12,15-16,27H,1,4-7,10,13-14,17-18,26H2
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| InChIKey |
KCBYGHZJZXZHQZ-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