General Information of the Compound
| Compound ID |
CP0456058
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| Compound Name |
3-((4-fluorophenyl)(2-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamido)methyl)pyridine 1-oxide
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| Structure |
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| Formula |
C31H30F4N4O2
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| Molecular Weight |
566.599
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| Canonical SMILES |
[O-][n+]1cccc(c1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C31H30F4N4O2/c32-27-7-3-24(4-8-27)30(25-2-1-14-39(41)21-25)36-29(40)18-22-11-15-37(16-12-22)19-23-13-17-38(20-23)28-9-5-26(6-10-28)31(33,34)35/h1-10,13-14,17,20-22,30H,11-12,15-16,18-19H2,(H,36,40)
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| InChIKey |
VVBZENRWLAGILS-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