General Information of the Compound
| Compound ID |
CP0444877
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| Compound Name |
7-fluoro-N-[1-[[4-(3-methoxy-3-methylbutoxy)phenyl]methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C28H33FN2O5
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| Molecular Weight |
496.579
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| Canonical SMILES |
COC(C)(C)CCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
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| InChI |
InChI=1S/C28H33FN2O5/c1-28(2,34-3)12-15-35-22-7-4-19(5-8-22)18-31-13-10-21(11-14-31)30-27(33)26-17-24(32)23-9-6-20(29)16-25(23)36-26/h4-9,16-17,21H,10-15,18H2,1-3H3,(H,30,33)
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| InChIKey |
IEDLKCWENXRGTD-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