General Information of the Compound
| Compound ID |
CP0954701
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| Compound Name |
2-Pyridin-4-yl-4-(4-pyridin-2-ylmethyl-piperazin-1-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C25H26N6S
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| Molecular Weight |
442.592
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| Canonical SMILES |
c1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)nc1
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| InChI |
InChI=1S/C25H26N6S/c1-2-7-21-20(6-1)22-24(28-23(29-25(22)32-21)18-8-11-26-12-9-18)31-15-13-30(14-16-31)17-19-5-3-4-10-27-19/h3-5,8-12H,1-2,6-7,13-17H2
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| InChIKey |
KWLKIMHRGYALFI-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