General Information of the Compound
| Compound ID |
CP0540792
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| Compound Name |
(3R,4S)-4-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]oxolan-3-ol
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| Structure |
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| Formula |
C21H22ClFN4O4
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| Molecular Weight |
448.882
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| Canonical SMILES |
CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(O[C@H]2COC[C@H]2O)cc1Cl
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| InChI |
InChI=1S/C21H22ClFN4O4/c1-10(2)24-19-5-12(4-11(3)25-19)21-26-20(27-31-21)13-6-15(23)17(7-14(13)22)30-18-9-29-8-16(18)28/h4-7,10,16,18,28H,8-9H2,1-3H3,(H,24,25)/t16-,18+/m1/s1
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| InChIKey |
XQJZYWZKLAIQJX-AEFFLSMTSA-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