General Information of the Compound
| Compound ID |
CP0442849
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| Compound Name |
6-(4-chlorophenyl)-3-{2-[(4-ethyl-1-piperazinyl)methyl]-6-quinolinyl}thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C28H26ClN5OS
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| Molecular Weight |
516.07
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| Canonical SMILES |
CCN1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C28H26ClN5OS/c1-2-32-11-13-33(14-12-32)17-22-8-5-20-15-23(9-10-24(20)31-22)34-18-30-25-16-26(36-27(25)28(34)35)19-3-6-21(29)7-4-19/h3-10,15-16,18H,2,11-14,17H2,1H3
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| InChIKey |
IPWYSBUTKATQSJ-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