General Information of the Compound
| Compound ID |
CP0874227
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| Compound Name |
4-(2-Amino-ethylamino)-2-pyridin-4-yl-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C21H26N6O2S
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| Molecular Weight |
426.546
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C21H26N6O2S/c1-21(2,3)29-20(28)27-11-6-14-15(12-27)30-19-16(14)18(24-10-7-22)25-17(26-19)13-4-8-23-9-5-13/h4-5,8-9H,6-7,10-12,22H2,1-3H3,(H,24,25,26)
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| InChIKey |
BLZGXXZXRPJXCC-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