General Information of the Compound
| Compound ID |
CP0459534
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| Compound Name |
1-(3-fluoro-4-(4-(5-nitro-2-(piperidin-1-yl)benzoyl)piperazin-1-yl)phenyl)ethanone
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| Structure |
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| Formula |
C24H27FN4O4
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| Molecular Weight |
454.502
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| Canonical SMILES |
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCCCC2)[N+]([O-])=O)c(F)c1
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| InChI |
InChI=1S/C24H27FN4O4/c1-17(30)18-5-7-23(21(25)15-18)27-11-13-28(14-12-27)24(31)20-16-19(29(32)33)6-8-22(20)26-9-3-2-4-10-26/h5-8,15-16H,2-4,9-14H2,1H3
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| InChIKey |
SDHZEMOLXNOMQA-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