General Information of the Compound
| Compound ID |
CP0433675
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| Compound Name |
3-Amino-5-(6-(2-amino-4-(trifluoromethyl)phenyl)-2-((S)-1-methoxypropan-2-ylamino)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C23H22F3N7O3
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| Molecular Weight |
501.469
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| Canonical SMILES |
COC[C@H](C)Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1N)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N7O3/c1-11(10-35-2)29-22-31-16(13-7-6-12(8-14(13)27)23(24,25)26)9-18(32-22)36-17-5-3-4-15-19(17)33-20(28)21(34)30-15/h3-9,11H,10,27H2,1-2H3,(H2,28,33)(H,30,34)(H,29,31,32)/t11-/m0/s1
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| InChIKey |
YQSRLPBNYNZCNV-NSHDSACASA-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