General Information of the Compound
| Compound ID |
CP0543828
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| Compound Name |
1-(1H-indazol-6-yl)-6-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzotriazole
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| Structure |
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| Formula |
C22H16N8
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| Molecular Weight |
392.426
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| Canonical SMILES |
C(c1ccccn1)n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
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| InChI |
InChI=1S/C22H16N8/c1-2-9-23-17(3-1)14-29-21(8-10-25-29)15-5-7-19-22(11-15)30(28-27-19)18-6-4-16-13-24-26-20(16)12-18/h1-13H,14H2,(H,24,26)
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| InChIKey |
SMARCJIRMRMPSK-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