General Information of the Compound
| Compound ID |
CP0548745
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| Compound Name |
1-(1H-indazol-6-yl)-6-[2-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]benzotriazole
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| Structure |
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| Formula |
C24H19N7O2S
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| Molecular Weight |
469.53
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
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| InChI |
InChI=1S/C24H19N7O2S/c1-34(32,33)20-7-2-16(3-8-20)15-30-23(10-11-26-30)17-5-9-21-24(12-17)31(29-28-21)19-6-4-18-14-25-27-22(18)13-19/h2-14H,15H2,1H3,(H,25,27)
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| InChIKey |
NISAXKXHLZSCSV-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