General Information of the Compound
| Compound ID |
CP0455120
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| Compound Name |
(4-(3-methoxyphenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
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| Structure |
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| Formula |
C22H26N4O5
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| Molecular Weight |
426.473
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H26N4O5/c1-30-19-4-2-3-17(15-19)23-7-9-25(10-8-23)22(27)20-16-18(26(28)29)5-6-21(20)24-11-13-31-14-12-24/h2-6,15-16H,7-14H2,1H3
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| InChIKey |
GLWIPFBFVQOOGK-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