General Information of the Compound
| Compound ID |
CP0960322
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| Compound Name |
(6-((1-((6-Methoxypyridin-3-yl)methyl)-1H-indol-5-yl)oxy)pyrimidin-4-yl)methanamine acetate
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| Structure |
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| Formula |
C22H23N5O4
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| Molecular Weight |
421.457
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| Canonical SMILES |
CC(=O)O.COc1ccc(Cn2ccc3cc(Oc4cc(CN)ncn4)ccc32)cn1
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| InChI |
InChI=1S/C20H19N5O2.C2H4O2/c1-26-19-5-2-14(11-22-19)12-25-7-6-15-8-17(3-4-18(15)25)27-20-9-16(10-21)23-13-24-20;1-2(3)4/h2-9,11,13H,10,12,21H2,1H3;1H3,(H,3,4)
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| InChIKey |
QQRTUIFPESXJJJ-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