General Information of the Compound
| Compound ID |
CP0407596
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| Compound Name |
N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C31H30F4N4O
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| Molecular Weight |
550.6
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| Canonical SMILES |
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1cccnc1
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| InChI |
InChI=1S/C31H30F4N4O/c32-27-7-3-24(4-8-27)30(25-2-1-14-36-19-25)37-29(40)18-22-11-15-38(16-12-22)20-23-13-17-39(21-23)28-9-5-26(6-10-28)31(33,34)35/h1-10,13-14,17,19,21-22,30H,11-12,15-16,18,20H2,(H,37,40)
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| InChIKey |
BEXVBWGCOSRYDF-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