General Information of the Compound
| Compound ID |
CP0501119
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| Compound Name |
6-(4-chlorophenyl)-3-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H18ClN5OS
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| Molecular Weight |
447.951
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc([nH]c4c3)N3CCCC3)c(=O)c2s1
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| InChI |
InChI=1S/C23H18ClN5OS/c24-15-5-3-14(4-6-15)20-12-19-21(31-20)22(30)29(13-25-19)16-7-8-17-18(11-16)27-23(26-17)28-9-1-2-10-28/h3-8,11-13H,1-2,9-10H2,(H,26,27)
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| InChIKey |
XZVGIPQQAGNDJX-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