General Information of the Compound
| Compound ID |
CP0380870
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| Compound Name |
6-(2,1,3-benzoxadiazol-5-yl)-4-N-[3-(dimethylamino)propyl]-2-N-methylthieno[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H21N7OS
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| Molecular Weight |
383.481
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| Canonical SMILES |
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc2nonc2c1
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| InChI |
InChI=1S/C18H21N7OS/c1-19-18-21-14-10-15(11-5-6-12-13(9-11)24-26-23-12)27-16(14)17(22-18)20-7-4-8-25(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21,22)
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| InChIKey |
ZIBAHCFPPOHWMP-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