General Information of the Compound
| Compound ID |
CP0439595
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| Compound Name |
1-(3-fluoro-4-(4-(2-(methylamino)-5-nitrobenzoyl)piperazin-1-yl)phenyl)ethanone
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| Structure |
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| Formula |
C20H21FN4O4
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| Molecular Weight |
400.41
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| Canonical SMILES |
CNc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
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| InChI |
InChI=1S/C20H21FN4O4/c1-13(26)14-3-6-19(17(21)11-14)23-7-9-24(10-8-23)20(27)16-12-15(25(28)29)4-5-18(16)22-2/h3-6,11-12,22H,7-10H2,1-2H3
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| InChIKey |
YRQIUYKQPKTGKT-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2