General Information of the Compound
| Compound ID |
CP0408007
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| Compound Name |
5-amino-8-(furan-2-yl)-3-[2-[4-[4-(1-methoxypropan-2-yloxy)phenyl]piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
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| Structure |
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| Formula |
C27H33N9O4
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| Molecular Weight |
547.62
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| Canonical SMILES |
COCC(C)Oc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
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| InChI |
InChI=1S/C27H33N9O4/c1-18(17-38-3)40-20-8-6-19(7-9-20)34-13-10-33(11-14-34)12-15-35-24-22(32(2)27(35)37)25-29-23(21-5-4-16-39-21)31-36(25)26(28)30-24/h4-9,16,18H,10-15,17H2,1-3H3,(H2,28,30)
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| InChIKey |
HURASBAMXINLCB-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