General Information of the Compound
| Compound ID |
CP0433677
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| Compound Name |
3-Amino-5-(2-(1-(pyridin-2-yl)ethylamino)-6-(4-(trifluoromethyl)-phenyl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C26H20F3N7O2
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| Molecular Weight |
519.487
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| Canonical SMILES |
CC(Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccn1
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| InChI |
InChI=1S/C26H20F3N7O2/c1-14(17-5-2-3-12-31-17)32-25-34-19(15-8-10-16(11-9-15)26(27,28)29)13-21(35-25)38-20-7-4-6-18-22(20)36-23(30)24(37)33-18/h2-14H,1H3,(H2,30,36)(H,33,37)(H,32,34,35)
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| InChIKey |
CAIHVDZFWAZXHI-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