General Information of the Compound
| Compound ID |
CP0509280
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| Compound Name |
(4S)-4-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-2-one
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| Structure |
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| Formula |
C21H21ClFN5O3
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| Molecular Weight |
445.882
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| Canonical SMILES |
CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(O[C@@H]2CNC(=O)C2)cc1Cl
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| InChI |
InChI=1S/C21H21ClFN5O3/c1-10(2)25-18-5-12(4-11(3)26-18)21-27-20(28-31-21)14-7-16(23)17(8-15(14)22)30-13-6-19(29)24-9-13/h4-5,7-8,10,13H,6,9H2,1-3H3,(H,24,29)(H,25,26)/t13-/m0/s1
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| InChIKey |
WOZDKZDZNBNPSE-ZDUSSCGKSA-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