General Information of the Compound
| Compound ID |
CP0433673
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| Compound Name |
3-amino-5-(6-(2-amino-6-(trifluoromethyl)pyridin-3-yl)-2-((S)-1-methoxypropan-2-ylamino)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C22H21F3N8O3
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| Molecular Weight |
502.457
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| Canonical SMILES |
COC[C@H](C)Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(nc1N)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N8O3/c1-10(9-35-2)28-21-30-13(11-6-7-15(22(23,24)25)31-18(11)26)8-16(32-21)36-14-5-3-4-12-17(14)33-19(27)20(34)29-12/h3-8,10H,9H2,1-2H3,(H2,26,31)(H2,27,33)(H,29,34)(H,28,30,32)/t10-/m0/s1
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| InChIKey |
NVGCLOHABULKAE-JTQLQIEISA-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