General Information of the Compound
| Compound ID |
CP0407236
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| Compound Name |
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-(4-nitrophenyl)thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H24N4O5S
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| Molecular Weight |
492.557
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C25H24N4O5S/c1-33-22-14-19(8-9-21(22)34-13-12-27-10-2-3-11-27)28-16-26-20-15-23(35-24(20)25(28)30)17-4-6-18(7-5-17)29(31)32/h4-9,14-16H,2-3,10-13H2,1H3
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| InChIKey |
IBXJGIQBCPHCPS-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