General Information of the Compound
| Compound ID |
CP0498830
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| Compound Name |
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide
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| Structure |
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| Formula |
C25H28N2O2S
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| Molecular Weight |
420.578
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| Canonical SMILES |
CN(C)CC1CCc2cc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)ccc2C1
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| InChI |
InChI=1S/C25H28N2O2S/c1-27(2)18-19-8-9-23-17-24(13-10-22(23)16-19)26-30(28,29)25-14-11-21(12-15-25)20-6-4-3-5-7-20/h3-7,10-15,17,19,26H,8-9,16,18H2,1-2H3
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| InChIKey |
BMCLCCGIUCWIFZ-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: PT01388, Melanin-concentrating hormone receptor 1