General Information of the Compound
| Compound ID |
CP0896815
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| Compound Name |
4-(Azetidin-3-yloxy)-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 |
C18H18N4OS
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| Molecular Weight |
338.436
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| Canonical SMILES |
c1cc(-c2nc(OC3CNC3)c3c4c(sc3n2)CCCC4)ccn1
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| InChI |
InChI=1S/C18H18N4OS/c1-2-4-14-13(3-1)15-17(23-12-9-20-10-12)21-16(22-18(15)24-14)11-5-7-19-8-6-11/h5-8,12,20H,1-4,9-10H2
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| InChIKey |
HEFHXWVGRCYWCG-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