General Information of the Compound
| Compound ID |
CP0951762
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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]-phenyl-methanone
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| Structure |
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| Formula |
C23H22N6OS
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| Molecular Weight |
430.537
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3
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| InChI |
InChI=1S/C23H22N6OS/c24-9-12-26-21-19-17-8-13-29(23(30)16-4-2-1-3-5-16)14-18(17)31-22(19)28-20(27-21)15-6-10-25-11-7-15/h1-7,10-11H,8-9,12-14,24H2,(H,26,27,28)
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| InChIKey |
DUBGGPWILQCINP-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