General Information of the Compound
| Compound ID |
CP0542826
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| Compound Name |
5-amino-8-(furan-2-yl)-3-[2-[4-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]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 |
C28H35N9O4
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| Molecular Weight |
561.647
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| Canonical SMILES |
COCC(C)(C)Oc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
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| InChI |
InChI=1S/C28H35N9O4/c1-28(2,18-39-4)41-20-9-7-19(8-10-20)35-14-11-34(12-15-35)13-16-36-24-22(33(3)27(36)38)25-30-23(21-6-5-17-40-21)32-37(25)26(29)31-24/h5-10,17H,11-16,18H2,1-4H3,(H2,29,31)
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| InChIKey |
WTSGLQVSVKYTNF-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