General Information of the Compound
| Compound ID |
CP0404724
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| Compound Name |
Biphenyl-4-carboxylic acid [4-(2-dimethylamino-ethylcarbamoyl)-3-methoxy-phenyl]-amide
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1C(=O)NCCN(C)C
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| InChI |
InChI=1S/C25H27N3O3/c1-28(2)16-15-26-25(30)22-14-13-21(17-23(22)31-3)27-24(29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,26,30)(H,27,29)
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| InChIKey |
JWPBTOBINHJMIW-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT02767, Melanin-concentrating hormone receptor 2