General Information of the Compound
| Compound ID |
CP0377262
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| Compound Name |
(4-(2-fluoro-4-(methylsulfonyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
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| Structure |
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| Formula |
C22H25FN4O6S
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| Molecular Weight |
492.529
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(F)c1
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| InChI |
InChI=1S/C22H25FN4O6S/c1-34(31,32)17-3-5-21(19(23)15-17)24-6-8-26(9-7-24)22(28)18-14-16(27(29)30)2-4-20(18)25-10-12-33-13-11-25/h2-5,14-15H,6-13H2,1H3
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| InChIKey |
BMWORNCAWUYFMM-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