General Information of the Compound
| Compound ID |
CP0376172
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(2-pyrrolidin-1-ylethylamino)-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H23ClN6OS
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| Molecular Weight |
491.02
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(NCCN5CCCC5)[nH]c4c3)c(=O)c2s1
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| InChI |
InChI=1S/C25H23ClN6OS/c26-17-5-3-16(4-6-17)22-14-21-23(34-22)24(33)32(15-28-21)18-7-8-19-20(13-18)30-25(29-19)27-9-12-31-10-1-2-11-31/h3-8,13-15H,1-2,9-12H2,(H2,27,29,30)
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| InChIKey |
LAOLAICCPSJBOW-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