General Information of the Compound
| Compound ID |
CP0458484
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| Compound Name |
7-fluoro-N-[1-[[3-fluoro-4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C29H32F2N4O4
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| Molecular Weight |
538.595
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(C(=O)NCCN3CCCC3)c(F)c2)CC1
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| InChI |
InChI=1S/C29H32F2N4O4/c30-20-4-6-23-25(36)17-27(39-26(23)16-20)29(38)33-21-7-12-35(13-8-21)18-19-3-5-22(24(31)15-19)28(37)32-9-14-34-10-1-2-11-34/h3-6,15-17,21H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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| InChIKey |
QXPHIRCHQSOMMO-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