General Information of the Compound
| Compound ID |
CP0455118
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| Compound Name |
(2-morpholino-5-nitrophenyl)(4-o-tolylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H26N4O4
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| Molecular Weight |
410.474
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H26N4O4/c1-17-4-2-3-5-20(17)23-8-10-25(11-9-23)22(27)19-16-18(26(28)29)6-7-21(19)24-12-14-30-15-13-24/h2-7,16H,8-15H2,1H3
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| InChIKey |
GRHQSFQPVYEQRJ-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