General Information of the Compound
| Compound ID |
CP0422023
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| Compound Name |
4-fluoro-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-ylcarbamoyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H24F4N4O3S
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| Molecular Weight |
524.54
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C24H24F4N4O3S/c25-19-3-7-22(8-4-19)36(34,35)30-23(33)29-20-10-12-31(13-11-20)15-17-9-14-32(16-17)21-5-1-18(2-6-21)24(26,27)28/h1-9,14,16,20H,10-13,15H2,(H2,29,30,33)
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| InChIKey |
XBDMIZPXBXWGEP-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: PT00897, Potassium voltage-gated channel subfamily H member 2