General Information of the Compound
| Compound ID |
CP0538454
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(1H-imidazol-1-ylmethyl)-6-quinolinyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H16ClN5OS
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| Molecular Weight |
469.957
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(Cn5ccnc5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C25H16ClN5OS/c26-18-4-1-16(2-5-18)23-12-22-24(33-23)25(32)31(15-28-22)20-7-8-21-17(11-20)3-6-19(29-21)13-30-10-9-27-14-30/h1-12,14-15H,13H2
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| InChIKey |
WYERIRXJYQMECS-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