General Information of the Compound
| Compound ID |
CP0481517
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| Compound Name |
(4-(4-(methylsulfonyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
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| Structure |
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| Formula |
C22H26N4O6S
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| Molecular Weight |
474.539
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H26N4O6S/c1-33(30,31)19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-32-15-13-24/h2-7,16H,8-15H2,1H3
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| InChIKey |
TWFVKEOACOYDTM-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