General Information of the Compound
| Compound ID |
CP0434441
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| Compound Name |
N,N-bis(3-methylbutyl)-2-[4-(methylcarbamoyl)anilino]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C34H50N6O2
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| Molecular Weight |
574.814
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| Canonical SMILES |
CNC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
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| InChI |
InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-12-15-30-31(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-30)36-29-13-10-27(11-14-29)32(41)35-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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| InChIKey |
DADQHECQKQBHAW-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor