General Information of the Compound
| Compound ID |
CP0206925
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| Compound Name |
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
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| InChI |
InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
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| InChIKey |
DFBYFJSXUCUKLA-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