General Information of the Compound
| Compound ID |
CP0541284
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(2-methoxyethylamino)-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H18ClN5O2S
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| Molecular Weight |
451.939
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| Canonical SMILES |
COCCNc1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H18ClN5O2S/c1-30-9-8-24-22-26-16-7-6-15(10-17(16)27-22)28-12-25-18-11-19(31-20(18)21(28)29)13-2-4-14(23)5-3-13/h2-7,10-12H,8-9H2,1H3,(H2,24,26,27)
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| InChIKey |
LZWYOBQGPUJFQP-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