General Information of the Compound
| Compound ID |
CP0227700
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| Compound Name |
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C21H17FN6
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| Molecular Weight |
372.407
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1
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| InChI |
InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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| InChIKey |
WXMICXPDNXUCTC-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