General Information of the Compound
| Compound ID |
CP0427226
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| Compound Name |
5-amino-8-(furan-2-yl)-1-methyl-3-[2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
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| Structure |
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| Formula |
C21H21F3N10O2S
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| Molecular Weight |
534.528
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| Canonical SMILES |
Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2nc(cs2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C21H21F3N10O2S/c1-30-14-16(28-18(25)34-17(14)27-15(29-34)12-3-2-10-36-12)33(20(30)35)9-6-31-4-7-32(8-5-31)19-26-13(11-37-19)21(22,23)24/h2-3,10-11H,4-9H2,1H3,(H2,25,28)
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| InChIKey |
YOXUINAHBUOBMU-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