General Information of the Compound
| Compound ID |
CP0467252
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| Compound Name |
4-N-[3-(dimethylamino)propyl]-2-N-methyl-6-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H30N6OS
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| Molecular Weight |
426.59
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| Canonical SMILES |
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C22H30N6OS/c1-23-22-25-18-15-19(30-20(18)21(26-22)24-9-4-10-27(2)3)16-5-7-17(8-6-16)28-11-13-29-14-12-28/h5-8,15H,4,9-14H2,1-3H3,(H2,23,24,25,26)
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| InChIKey |
SEKDLSFOYZJGHK-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