General Information of the Compound
| Compound ID |
CP0454256
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| Compound Name |
N-[(4-fluorophenyl)-(6-oxo-1H-pyridin-3-yl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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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 |
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
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| InChI |
InChI=1S/C31H30F4N4O2/c32-26-6-1-23(2-7-26)30(24-3-10-28(40)36-18-24)37-29(41)17-21-11-14-38(15-12-21)19-22-13-16-39(20-22)27-8-4-25(5-9-27)31(33,34)35/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,36,40)(H,37,41)
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| InChIKey |
XWTMTWASFBCEMU-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