General Information of the Compound
| Compound ID |
CP0474949
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| Compound Name |
1-(4-(4-(2-amino-5-nitrobenzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone
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| Structure |
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| Formula |
C19H19FN4O4
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| Molecular Weight |
386.383
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| Canonical SMILES |
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N)[N+]([O-])=O)c(F)c1
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| InChI |
InChI=1S/C19H19FN4O4/c1-12(25)13-2-5-18(16(20)10-13)22-6-8-23(9-7-22)19(26)15-11-14(24(27)28)3-4-17(15)21/h2-5,10-11H,6-9,21H2,1H3
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| InChIKey |
UYNVVEYUBKMVBV-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