General Information of the Compound
| Compound ID |
CP0399084
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| Compound Name |
(2S)-2-amino-3-[3-oxo-5-[2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]tetrazol-5-yl]-1,2-oxazol-4-yl]propanoic acid
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| Structure |
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| Formula |
C18H23N7O4
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| Molecular Weight |
401.427
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| Canonical SMILES |
CC(C)NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
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| InChI |
InChI=1S/C18H23N7O4/c1-10(2)20-8-11-4-3-5-12(6-11)9-25-22-16(21-24-25)15-13(17(26)23-29-15)7-14(19)18(27)28/h3-6,10,14,20H,7-9,19H2,1-2H3,(H,23,26)(H,27,28)/t14-/m0/s1
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| InChIKey |
KTPPVZLNOSGWIY-AWEZNQCLSA-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: PT02409, Glutamate receptor 1
Protein ID: PT01414, Glutamate receptor 2
Protein ID: PT03116, Glutamate receptor 3
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3