General Information of the Compound
| Compound ID |
CP0427225
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| Compound Name |
5-amino-3-[2-[4-[4-(difluoromethoxy)phenyl]piperazin-1-yl]ethyl]-8-(furan-2-yl)-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
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| Structure |
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| Formula |
C24H25F2N9O3
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| Molecular Weight |
525.52
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| Canonical SMILES |
Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(OC(F)F)cc2)c1=O
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| InChI |
InChI=1S/C24H25F2N9O3/c1-31-18-20(29-23(27)35-21(18)28-19(30-35)17-3-2-14-37-17)34(24(31)36)13-10-32-8-11-33(12-9-32)15-4-6-16(7-5-15)38-22(25)26/h2-7,14,22H,8-13H2,1H3,(H2,27,29)
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| InChIKey |
XWQJVBZFHWJDGX-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