General Information of the Compound
| Compound ID |
CP0404725
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| Compound Name |
Biphenyl-4-carboxylic acid [4-(3-dimethylamino-propylcarbamoyl)-3-methoxy-phenyl]-amide
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1C(=O)NCCCN(C)C
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| InChI |
InChI=1S/C26H29N3O3/c1-29(2)17-7-16-27-26(31)23-15-14-22(18-24(23)32-3)28-25(30)21-12-10-20(11-13-21)19-8-5-4-6-9-19/h4-6,8-15,18H,7,16-17H2,1-3H3,(H,27,31)(H,28,30)
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| InChIKey |
RTCLEASSPZLXDN-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