General Information of the Compound
| Compound ID |
CP0436148
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| Compound Name |
WAY 212922
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| Structure |
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| Formula |
C18H15F3N2O3
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| Molecular Weight |
364.323
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc-2c(Cc3cc(ccc-23)C(F)(F)F)c1)C(O)=O
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| InChI |
InChI=1S/C18H15F3N2O3/c19-18(20,21)11-1-3-13-9(6-11)5-10-7-12(2-4-14(10)13)23-16(24)8-15(22)17(25)26/h1-4,6-7,15H,5,8,22H2,(H,23,24)(H,25,26)/t15-/m0/s1
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| InChIKey |
RQMJHVCNUOBABB-HNNXBMFYSA-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: PT04012, Excitatory amino acid transporter 1
Protein ID: PT03541, Excitatory amino acid transporter 2
Protein ID: PT03879, Excitatory amino acid transporter 3