General Information of the Compound
| Compound ID |
CP0507523
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| Compound Name |
3-(4-isopropylphenylsulfonyl)-N-(3-methoxyphenyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C23H21N5O3S2
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| Molecular Weight |
479.587
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| Canonical SMILES |
COc1cccc(Nc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccc(cc2)C(C)C)c1
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| InChI |
InChI=1S/C23H21N5O3S2/c1-14(2)15-7-9-18(10-8-15)33(29,30)23-22-25-21(24-16-5-4-6-17(13-16)31-3)20-19(11-12-32-20)28(22)27-26-23/h4-14H,1-3H3,(H,24,25)
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| InChIKey |
QQRYJPQWFTYNDK-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