General Information of the Compound
| Compound ID |
CP0890903
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| Compound Name |
1,2-dihydro-8-(4-methylphenyl)-2-thioxothiazolo[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 |
C17H10N4OS3
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| Molecular Weight |
382.495
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| Canonical SMILES |
Cc1ccc(-n2cnc3c(sc4ncc5sc(=S)[nH]c5c43)c2=O)cc1
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| InChI |
InChI=1S/C17H10N4OS3/c1-8-2-4-9(5-3-8)21-7-19-13-11-12-10(24-17(23)20-12)6-18-15(11)25-14(13)16(21)22/h2-7H,1H3,(H,20,23)
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| InChIKey |
NXMGTJOJPFRFER-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