General Information of the Compound
| Compound ID |
CP0542884
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| Compound Name |
1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- furan-3-yl)-1,2,4- oxadiazol-5-yl)methyl)- 7-methyl-1,7-dihydro- 6H-purin-6-one
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| Structure |
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| Formula |
C19H17ClN6O3
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| Molecular Weight |
412.837
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| Canonical SMILES |
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12
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| InChI |
InChI=1S/C19H17ClN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/s1
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| InChIKey |
UGLQOTZNBCEHHB-GXTWGEPZSA-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