General Information of the Compound
| Compound ID |
CP0430046
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| Compound Name |
8-(4-chlorophenyl)-1h-pyrazolo[3'',4'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
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| Structure |
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| Formula |
C16H8ClN5OS
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| Molecular Weight |
353.794
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| Canonical SMILES |
Clc1ccc(cc1)-n1cnc2c(sc3ncc4c[nH]nc4c23)c1=O
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| InChI |
InChI=1S/C16H8ClN5OS/c17-9-1-3-10(4-2-9)22-7-19-13-11-12-8(6-20-21-12)5-18-15(11)24-14(13)16(22)23/h1-7H,(H,20,21)
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| InChIKey |
LKBNBRKQCADHSO-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