General Information of the Compound
| Compound ID |
CP0434755
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| Compound Name |
3-chloro-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C22H15ClN6
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| Molecular Weight |
398.857
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| Canonical SMILES |
Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
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| InChI |
InChI=1S/C22H15ClN6/c23-17-13-15(14-24)4-5-21(17)28-11-7-16-20(6-10-26-22(16)28)29-12-8-19(27-29)18-3-1-2-9-25-18/h1-6,8-10,12-13H,7,11H2
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| InChIKey |
KKXJYDZWDDCGBY-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