General Information of the Compound
| Compound ID |
CP0940831
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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]-propan-1-one
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| Structure |
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| Formula |
C19H22N6OS
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| Molecular Weight |
382.493
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| Canonical SMILES |
CCC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C19H22N6OS/c1-2-15(26)25-10-5-13-14(11-25)27-19-16(13)18(22-9-6-20)23-17(24-19)12-3-7-21-8-4-12/h3-4,7-8H,2,5-6,9-11,20H2,1H3,(H,22,23,24)
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| InChIKey |
WPTBUTSSOIQBFD-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