General Information of the Compound
| Compound ID |
CP0548910
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| Compound Name |
6-pyridin-4-yl-2-(pyrrolidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C16H16N4OS
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| Molecular Weight |
312.398
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| Canonical SMILES |
O=c1[nH]c(CN2CCCC2)nc2cc(sc12)-c1ccncc1
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| InChI |
InChI=1S/C16H16N4OS/c21-16-15-12(9-13(22-15)11-3-5-17-6-4-11)18-14(19-16)10-20-7-1-2-8-20/h3-6,9H,1-2,7-8,10H2,(H,18,19,21)
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| InChIKey |
NAAUCRKUAGQWMN-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