General Information of the Compound
| Compound ID |
CP0449189
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| Compound Name |
3-Amino-5-(6-(2-(2-morpholinoethylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C24H23F3N8O3
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| Molecular Weight |
528.495
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| Canonical SMILES |
Nc1nc2c(Oc3cc(ncn3)-c3ccc(nc3NCCN3CCOCC3)C(F)(F)F)cccc2[nH]c1=O
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| InChI |
InChI=1S/C24H23F3N8O3/c25-24(26,27)18-5-4-14(22(33-18)29-6-7-35-8-10-37-11-9-35)16-12-19(31-13-30-16)38-17-3-1-2-15-20(17)34-21(28)23(36)32-15/h1-5,12-13H,6-11H2,(H2,28,34)(H,29,33)(H,32,36)
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| InChIKey |
OHJXUHGHYSMZRL-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