General Information of the Compound
| Compound ID |
CP0382467
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| Compound Name |
7-methyl-3-[2-(4-quinolin-2-yl-piperazin-1-yl)-ethyl]-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 |
C25H28N6OS
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| Molecular Weight |
460.607
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| Canonical SMILES |
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccc4ccccc4n3)c(=O)c21
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| InChI |
InChI=1S/C25H28N6OS/c1-28-9-8-19-21(16-28)33-24-23(19)25(32)31(17-26-24)15-12-29-10-13-30(14-11-29)22-7-6-18-4-2-3-5-20(18)27-22/h2-7,17H,8-16H2,1H3
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| InChIKey |
YXNUVHZNVXYVDN-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