General Information of the Compound
| Compound ID |
CP0522902
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| Compound Name |
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
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| Structure |
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| Formula |
C22H17ClN4O3S3
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| Molecular Weight |
517.057
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| Canonical SMILES |
COc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(Cl)cc3s2)nc2CCSc2c1=O
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| InChI |
InChI=1S/C22H17ClN4O3S3/c1-30-14-5-3-13(4-6-14)27-20(29)19-16(8-9-31-19)25-22(27)32-11-18(28)26-21-24-15-7-2-12(23)10-17(15)33-21/h2-7,10H,8-9,11H2,1H3,(H,24,26,28)
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| InChIKey |
UQQQFDSDRVKSAY-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