General Information of the Compound
| Compound ID |
CP0523837
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| Compound Name |
3-(3-chlorophenylsulfonyl)-N-(2-methoxyethyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C16H14ClN5O3S2
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| Molecular Weight |
423.907
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| Canonical SMILES |
COCCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H14ClN5O3S2/c1-25-7-6-18-14-13-12(5-8-26-13)22-15(19-14)16(20-21-22)27(23,24)11-4-2-3-10(17)9-11/h2-5,8-9H,6-7H2,1H3,(H,18,19)
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| InChIKey |
YEJMWCSTHKLOQC-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