General Information of the Compound
| Compound ID |
CP0371945
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| Compound Name |
2-{4-[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-ethyl]-piperazin-1-yl}-benzonitrile
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| Structure |
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| Formula |
C23H26N6OS
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| Molecular Weight |
434.569
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| Canonical SMILES |
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C#N)c(=O)c21
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| InChI |
InChI=1S/C23H26N6OS/c1-26-7-6-18-20(15-26)31-22-21(18)23(30)29(16-25-22)13-10-27-8-11-28(12-9-27)19-5-3-2-4-17(19)14-24/h2-5,16H,6-13,15H2,1H3
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| InChIKey |
FREWUHPTJYJHEV-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