General Information of the Compound
| Compound ID |
CP0541285
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(cyclopropylamino)-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H16ClN5OS
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| Molecular Weight |
433.924
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(NC5CC5)[nH]c4c3)c(=O)c2s1
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| InChI |
InChI=1S/C22H16ClN5OS/c23-13-3-1-12(2-4-13)19-10-18-20(30-19)21(29)28(11-24-18)15-7-8-16-17(9-15)27-22(26-16)25-14-5-6-14/h1-4,7-11,14H,5-6H2,(H2,25,26,27)
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| InChIKey |
IZFIBMWWSGZPCL-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