General Information of the Compound
| Compound ID |
CP0511007
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| Compound Name |
3-{2-[4-(4-chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H28ClN5O2S
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| Molecular Weight |
474.03
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| Canonical SMILES |
COc1cc(Cl)ccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
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| InChI |
InChI=1S/C23H28ClN5O2S/c1-26-6-5-17-20(14-26)32-22-21(17)23(30)29(15-25-22)12-9-27-7-10-28(11-8-27)18-4-3-16(24)13-19(18)31-2/h3-4,13,15H,5-12,14H2,1-2H3
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| InChIKey |
QDMMSURIMGYFRS-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