General Information of the Compound
| Compound ID |
CP0557690
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| Compound Name |
(R)-3-(2-(4-chlorophenyl)- 2-fluoroethyl)-5-((7-methyl- 6-oxo-6H-purin-1(7H)- yl)methyl)-1,3,4-oxadiazol- 2(3H)-one
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| Structure |
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| Formula |
C17H14ClFN6O3
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| Molecular Weight |
404.789
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| Canonical SMILES |
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
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| InChI |
InChI=1S/C17H14ClFN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)6-12(19)10-2-4-11(18)5-3-10/h2-5,8-9,12H,6-7H2,1H3/t12-/m0/s1
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| InChIKey |
RSSHXKVUURRAKX-LBPRGKRZSA-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