General Information of the Compound
| Compound ID |
CP0481298
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| Compound Name |
(4-(3-chlorophenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
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| Structure |
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| Formula |
C21H23ClN4O4
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| Molecular Weight |
430.892
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| Canonical SMILES |
[O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H23ClN4O4/c22-16-2-1-3-17(14-16)23-6-8-25(9-7-23)21(27)19-15-18(26(28)29)4-5-20(19)24-10-12-30-13-11-24/h1-5,14-15H,6-13H2
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| InChIKey |
LMTIBCIPVVPFGB-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