General Information of the Compound
| Compound ID |
CP0852644
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| Compound Name |
1-[4-(2-Amino-ethylamino)-2-pyridin-4-yl-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-yl]-2-dimethylamino-ethanone
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| Structure |
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| Formula |
C20H25N7OS
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| Molecular Weight |
411.535
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| Canonical SMILES |
CN(C)CC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C20H25N7OS/c1-26(2)12-16(28)27-10-5-14-15(11-27)29-20-17(14)19(23-9-6-21)24-18(25-20)13-3-7-22-8-4-13/h3-4,7-8H,5-6,9-12,21H2,1-2H3,(H,23,24,25)
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| InChIKey |
QFXSJGYBKNGEHX-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