General Information of the Compound
| Compound ID |
CP0473390
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| Compound Name |
6-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
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| Structure |
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| Formula |
C23H16ClN7
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| Molecular Weight |
425.883
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| Canonical SMILES |
Clc1cccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
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| InChI |
InChI=1S/C23H16ClN7/c24-18-3-1-2-15(10-18)14-30-22(8-9-26-30)16-5-7-20-23(11-16)31(29-28-20)19-6-4-17-13-25-27-21(17)12-19/h1-13H,14H2,(H,25,27)
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| InChIKey |
QGYKJWVCIGEDST-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