General Information of the Compound
| Compound ID |
CP0852645
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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]pyrimidin-7-yl]-cyclobutyl-methanone
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| Structure |
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| Formula |
C21H24N6OS
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| Molecular Weight |
408.531
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)C1CCC1)C3
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| InChI |
InChI=1S/C21H24N6OS/c22-7-10-24-19-17-15-6-11-27(21(28)14-2-1-3-14)12-16(15)29-20(17)26-18(25-19)13-4-8-23-9-5-13/h4-5,8-9,14H,1-3,6-7,10-12,22H2,(H,24,25,26)
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| InChIKey |
GGMSBZICWYEOFR-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