General Information of the Compound
| Compound ID |
CP0874193
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| Compound Name |
4-((S)-1-Piperidin-2-ylmethoxy)-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 |
C21H24N4OS
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| Molecular Weight |
380.517
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| Canonical SMILES |
c1cc(-c2nc(OC[C@@H]3CCCCN3)c3c4c(sc3n2)CCCC4)ccn1
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| InChI |
InChI=1S/C21H24N4OS/c1-2-7-17-16(6-1)18-20(26-13-15-5-3-4-10-23-15)24-19(25-21(18)27-17)14-8-11-22-12-9-14/h8-9,11-12,15,23H,1-7,10,13H2/t15-/m0/s1
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| InChIKey |
QDNJAELNYCIBEV-HNNXBMFYSA-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