General Information of the Compound
| Compound ID |
CP0418738
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| Compound Name |
(+/-)-2,3-dihydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)propanamide
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| Structure |
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| Formula |
C22H23F3N4O4
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| Molecular Weight |
464.444
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| Canonical SMILES |
Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)C(O)CO)c1=O
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| InChI |
InChI=1S/C22H23F3N4O4/c1-13-21(33)29(8-7-26-20(32)19(31)12-30)18-10-16(5-6-17(18)28-13)27-11-14-3-2-4-15(9-14)22(23,24)25/h2-6,9-10,19,27,30-31H,7-8,11-12H2,1H3,(H,26,32)
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| InChIKey |
PRZKVPSEKMHFIS-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