General Information of the Compound
| Compound ID |
CP0967316
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| Compound Name |
6-Phenyl-4-piperazin-1-yl-2-pyridin-4-yl-thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C21H19N5S
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| Molecular Weight |
373.485
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| Canonical SMILES |
c1ccc(-c2cc3nc(-c4ccncc4)nc(N4CCNCC4)c3s2)cc1
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| InChI |
InChI=1S/C21H19N5S/c1-2-4-15(5-3-1)18-14-17-19(27-18)21(26-12-10-23-11-13-26)25-20(24-17)16-6-8-22-9-7-16/h1-9,14,23H,10-13H2
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| InChIKey |
VHNWUQHHLPJBMS-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