General Information of the Compound
| Compound ID |
CP0306029
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| Compound Name |
7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C22H24F2N8O
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| Molecular Weight |
454.485
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| Canonical SMILES |
CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
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| InChI |
InChI=1S/C22H24F2N8O/c1-29(6-7-30-8-10-31(11-9-30)17-5-4-15(23)13-16(17)24)19-14-20-26-21(18-3-2-12-33-18)28-32(20)22(25)27-19/h2-5,12-14H,6-11H2,1H3,(H2,25,27)
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| InChIKey |
AYDUITGMILRLFK-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