General Information of the Compound
| Compound ID |
CP0580080
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| Compound Name |
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
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| Structure |
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| Formula |
C20H18F2N4O4
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| Molecular Weight |
416.384
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(N[C@H]2[C@@H](CNC2=O)c2c(F)cc(OC)cc2F)o1
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| InChI |
InChI=1S/C20H18F2N4O4/c1-28-11-5-3-10(4-6-11)19-25-26-20(30-19)24-17-13(9-23-18(17)27)16-14(21)7-12(29-2)8-15(16)22/h3-8,13,17H,9H2,1-2H3,(H,23,27)(H,24,26)/t13-,17-/m0/s1
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| InChIKey |
FEQKQUWWXQCLHI-GUYCJALGSA-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