General Information of the Compound
| Compound ID |
CP0504466
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| Compound Name |
3-(4-bromophenylsulfonyl)-N-(2-methoxybenzyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C21H16BrN5O3S2
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| Molecular Weight |
530.429
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| Canonical SMILES |
COc1ccccc1CNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C21H16BrN5O3S2/c1-30-17-5-3-2-4-13(17)12-23-19-18-16(10-11-31-18)27-20(24-19)21(25-26-27)32(28,29)15-8-6-14(22)7-9-15/h2-11H,12H2,1H3,(H,23,24)
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| InChIKey |
PPLYSSMJRLIGQR-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