General Information of the Compound
| Compound ID |
CP0442603
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| Compound Name |
6-(4-chlorophenyl)-3-(2-{[methyl(phenyl)amino]methyl}-6-quinolinyl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C29H21ClN4OS
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| Molecular Weight |
509.034
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| Canonical SMILES |
CN(Cc1ccc2cc(ccc2n1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H21ClN4OS/c1-33(23-5-3-2-4-6-23)17-22-12-9-20-15-24(13-14-25(20)32-22)34-18-31-26-16-27(36-28(26)29(34)35)19-7-10-21(30)11-8-19/h2-16,18H,17H2,1H3
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| InChIKey |
CUOBJGYPCXQATM-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