General Information of the Compound
| Compound ID |
CP0952739
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| Compound Name |
4-((3R,5S)-3,5-Dimethyl-piperazin-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C21H25N5S
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| Molecular Weight |
379.533
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| Canonical SMILES |
C[C@@H]1CN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)C[C@H](C)N1
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| InChI |
InChI=1S/C21H25N5S/c1-13-11-26(12-14(2)23-13)20-18-16-5-3-4-6-17(16)27-21(18)25-19(24-20)15-7-9-22-10-8-15/h7-10,13-14,23H,3-6,11-12H2,1-2H3/t13-,14+
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| InChIKey |
FRWMPZPMQZCDGG-OKILXGFUSA-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