General Information of the Compound
| Compound ID |
CP0569104
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| Compound Name |
(3S,4R)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C19H15ClF2N4O3
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| Molecular Weight |
420.803
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(o2)-c2ccccc2Cl)c(F)c1
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| InChI |
InChI=1S/C19H15ClF2N4O3/c1-28-9-6-13(21)15(14(22)7-9)11-8-23-17(27)16(11)24-19-26-25-18(29-19)10-4-2-3-5-12(10)20/h2-7,11,16H,8H2,1H3,(H,23,27)(H,24,26)/t11-,16-/m0/s1
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| InChIKey |
XCXOFIAKVMFBMR-ZBEGNZNMSA-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