General Information of the Compound
| Compound ID |
CP0522734
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| Compound Name |
7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C21H21F2N7OS
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| Molecular Weight |
457.51
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| Canonical SMILES |
Nc1nc(SCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C21H21F2N7OS/c22-14-3-4-16(15(23)12-14)29-7-5-28(6-8-29)9-11-32-19-13-18-25-20(17-2-1-10-31-17)27-30(18)21(24)26-19/h1-4,10,12-13H,5-9,11H2,(H2,24,26)
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| InChIKey |
LYXDJHZUOCYFAP-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