General Information of the Compound
| Compound ID |
CP0519735
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| Compound Name |
1-morpholin-4-yl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-1-one
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| Structure |
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| Formula |
C20H21N3O2S2
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| Molecular Weight |
399.541
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| Canonical SMILES |
O=C(CCCSc1ncnc2sc(cc12)-c1ccccc1)N1CCOCC1
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| InChI |
InChI=1S/C20H21N3O2S2/c24-18(23-8-10-25-11-9-23)7-4-12-26-19-16-13-17(15-5-2-1-3-6-15)27-20(16)22-14-21-19/h1-3,5-6,13-14H,4,7-12H2
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| InChIKey |
PFSSVNYHTVQLSR-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00212, Phosphodiesterase