General Information of the Compound
| Compound ID |
CP0444731
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| Compound Name |
8-(4-chlorophenyl)-1-methyl-1H-imidazo[4'',5'':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 |
C17H10ClN5OS
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| Molecular Weight |
367.821
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| Canonical SMILES |
Cn1cnc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c12
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| InChI |
InChI=1S/C17H10ClN5OS/c1-22-7-20-11-6-19-16-12(14(11)22)13-15(25-16)17(24)23(8-21-13)10-4-2-9(18)3-5-10/h2-8H,1H3
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| InChIKey |
TUWFZAWPLYDRPS-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