General Information of the Compound
| Compound ID |
CP0440789
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| Compound Name |
5-amino-8-(furan-2-yl)-1-methyl-3-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
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| Structure |
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| Formula |
C24H24F3N9O2
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| Molecular Weight |
527.511
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| Canonical SMILES |
Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C24H24F3N9O2/c1-32-18-20(30-22(28)36-21(18)29-19(31-36)17-3-2-14-38-17)35(23(32)37)13-10-33-8-11-34(12-9-33)16-6-4-15(5-7-16)24(25,26)27/h2-7,14H,8-13H2,1H3,(H2,28,30)
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| InChIKey |
KTZXOBJQPKFGGC-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