General Information of the Compound
| Compound ID |
CP0424076
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| Compound Name |
1-(4-(4-(2-(dimethylamino)-5-nitrobenzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone
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| Structure |
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| Formula |
C21H23FN4O4
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| Molecular Weight |
414.437
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| Canonical SMILES |
CN(C)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
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| InChI |
InChI=1S/C21H23FN4O4/c1-14(27)15-4-6-20(18(22)12-15)24-8-10-25(11-9-24)21(28)17-13-16(26(29)30)5-7-19(17)23(2)3/h4-7,12-13H,8-11H2,1-3H3
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| InChIKey |
AELYEMQJWCLVGG-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