General Information of the Compound
| Compound ID |
CP0449771
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| Compound Name |
7-fluoro-N-[1-[[3-fluoro-4-(3-piperidin-1-ylpropanoylamino)phenyl]methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C30H34F2N4O4
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| Molecular Weight |
552.622
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(NC(=O)CCN3CCCCC3)c(F)c2)CC1
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| InChI |
InChI=1S/C30H34F2N4O4/c31-21-5-6-23-26(37)18-28(40-27(23)17-21)30(39)33-22-8-13-36(14-9-22)19-20-4-7-25(24(32)16-20)34-29(38)10-15-35-11-2-1-3-12-35/h4-7,16-18,22H,1-3,8-15,19H2,(H,33,39)(H,34,38)
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| InChIKey |
PXIGCJZSDMJLTL-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