General Information of the Compound
| Compound ID |
CP0417401
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| Compound Name |
CAS_868359-05-1
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| Synonyms |
WAY-213,613
WAY-213613
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| Structure |
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| Formula |
C16H13BrF2N2O4
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| Molecular Weight |
415.19
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O
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| InChI |
InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1
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| InChIKey |
BNYDDAAZMBUFRG-ZDUSSCGKSA-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
Clinical Information about the Compound