General Information of the Compound
| Compound ID |
CP0508161
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| Compound Name |
7-methyl-3-[2-(4-o-tolyl-piperazin-1-yl)-ethyl]-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H29N5OS
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| Molecular Weight |
423.586
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| Canonical SMILES |
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C)c(=O)c21
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| InChI |
InChI=1S/C23H29N5OS/c1-17-5-3-4-6-19(17)27-12-9-26(10-13-27)11-14-28-16-24-22-21(23(28)29)18-7-8-25(2)15-20(18)30-22/h3-6,16H,7-15H2,1-2H3
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| InChIKey |
DOSWXEACORUGRU-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