General Information of the Compound
| Compound ID |
CP0946420
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| Compound Name |
Methyl 2-(4-((6-(aminomethyl)pyrimidin-4-yl)oxy)-1H-indol-1-yl)acetate acetate
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| Structure |
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| Formula |
C18H20N4O5
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| Molecular Weight |
372.381
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| Canonical SMILES |
CC(=O)O.COC(=O)Cn1ccc2c(Oc3cc(CN)ncn3)cccc21
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| InChI |
InChI=1S/C16H16N4O3.C2H4O2/c1-22-16(21)9-20-6-5-12-13(20)3-2-4-14(12)23-15-7-11(8-17)18-10-19-15;1-2(3)4/h2-7,10H,8-9,17H2,1H3;1H3,(H,3,4)
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| InChIKey |
HAEUNAFKJFYAII-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