General Information of the Compound
| Compound ID |
CP0456825
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| Compound Name |
2-N-methyl-4-N-(2-piperazin-1-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H23F3N6S
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| Molecular Weight |
436.507
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| Canonical SMILES |
CNc1nc(NCCN2CCNCC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H23F3N6S/c1-24-19-27-15-12-16(13-2-4-14(5-3-13)20(21,22)23)30-17(15)18(28-19)26-8-11-29-9-6-25-7-10-29/h2-5,12,25H,6-11H2,1H3,(H2,24,26,27,28)
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| InChIKey |
DTJLQWKDDKMSHC-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