General Information of the Compound
| Compound ID |
CP0422040
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| Compound Name |
3-amino-5-(2-((1-neopentylpiperidin-2-yl)methylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C30H34F3N7O2
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| Molecular Weight |
581.643
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| Canonical SMILES |
CC(C)(C)CN1CCCCC1CNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H34F3N7O2/c1-29(2,3)17-40-14-5-4-7-20(40)16-35-28-37-22(18-10-12-19(13-11-18)30(31,32)33)15-24(38-28)42-23-9-6-8-21-25(23)39-26(34)27(41)36-21/h6,8-13,15,20H,4-5,7,14,16-17H2,1-3H3,(H2,34,39)(H,36,41)(H,35,37,38)
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| InChIKey |
LOFLHDZWTMTTOF-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