General Information of the Compound
| Compound ID |
CP0969413
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| Compound Name |
(6-((1-((6-Methoxypyridin-3-yl)methyl)-2-methyl-1H-indol-4-yl)oxy)pyrimidin-4-yl)methanamine Trifluoroacetate
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| Structure |
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| Formula |
C23H22F3N5O4
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| Molecular Weight |
489.454
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| Canonical SMILES |
COc1ccc(Cn2c(C)cc3c(Oc4cc(CN)ncn4)cccc32)cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H21N5O2.C2HF3O2/c1-14-8-17-18(26(14)12-15-6-7-20(27-2)23-11-15)4-3-5-19(17)28-21-9-16(10-22)24-13-25-21;3-2(4,5)1(6)7/h3-9,11,13H,10,12,22H2,1-2H3;(H,6,7)
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| InChIKey |
JQRRSWWLEORKQC-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