General Information of the Compound
| Compound ID |
CP0422044
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| Compound Name |
3-Amino-5-(6-(2-((1-isobutylpiperidin-2-yl)methylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C28H31F3N8O2
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| Molecular Weight |
568.604
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| Canonical SMILES |
CC(C)CN1CCCCC1CNc1nc(ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C28H31F3N8O2/c1-16(2)14-39-11-4-3-6-17(39)13-33-26-18(9-10-22(37-26)28(29,30)31)20-12-23(35-15-34-20)41-21-8-5-7-19-24(21)38-25(32)27(40)36-19/h5,7-10,12,15-17H,3-4,6,11,13-14H2,1-2H3,(H2,32,38)(H,33,37)(H,36,40)
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| InChIKey |
XVWRWBMMOYPTHB-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