General Information of the Compound
| Compound ID |
CP0880961
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| Compound Name |
2-Pyridin-4-yl-4-((R)-pyrrolidin-3-yloxy)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C19H20N4OS
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| Molecular Weight |
352.463
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| Canonical SMILES |
c1cc(-c2nc(O[C@@H]3CCNC3)c3c4c(sc3n2)CCCC4)ccn1
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| InChI |
InChI=1S/C19H20N4OS/c1-2-4-15-14(3-1)16-18(24-13-7-10-21-11-13)22-17(23-19(16)25-15)12-5-8-20-9-6-12/h5-6,8-9,13,21H,1-4,7,10-11H2/t13-/m1/s1
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| InChIKey |
ZKMCVDOEATVONU-CYBMUJFWSA-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