General Information of the Compound
| Compound ID |
CP0553997
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| Compound Name |
6-[2-[(3-chloropyridin-2-yl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
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| Structure |
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| Formula |
C22H15ClN8
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| Molecular Weight |
426.871
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| Canonical SMILES |
Clc1cccnc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
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| InChI |
InChI=1S/C22H15ClN8/c23-17-2-1-8-24-20(17)13-30-21(7-9-26-30)14-4-6-18-22(10-14)31(29-28-18)16-5-3-15-12-25-27-19(15)11-16/h1-12H,13H2,(H,25,27)
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| InChIKey |
ZWBLUQAWNJKSOE-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