General Information of the Compound
| Compound ID |
CP0422041
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| Compound Name |
3-amino-5-(2-(3-hydroxybutylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C23H21F3N6O3
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| Molecular Weight |
486.454
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| Canonical SMILES |
CC(O)CCNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H21F3N6O3/c1-12(33)9-10-28-22-30-16(13-5-7-14(8-6-13)23(24,25)26)11-18(31-22)35-17-4-2-3-15-19(17)32-20(27)21(34)29-15/h2-8,11-12,33H,9-10H2,1H3,(H2,27,32)(H,29,34)(H,28,30,31)
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| InChIKey |
QPDNZWZOAZLUBK-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