General Information of the Compound
| Compound ID |
CP0380200
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| Compound Name |
(2R,3S)-2-[[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)pyridin-4-yl]-1,3,4-thiadiazol-2-yl]phenoxy]methyl]oxolan-3-ol
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| Structure |
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| Formula |
C22H24ClFN4O3S
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| Molecular Weight |
478.977
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| Canonical SMILES |
CC(C)Nc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H]2OCC[C@@H]2O)cc1Cl
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| InChI |
InChI=1S/C22H24ClFN4O3S/c1-11(2)25-20-7-13(6-12(3)26-20)21-27-28-22(32-21)14-8-16(24)18(9-15(14)23)31-10-19-17(29)4-5-30-19/h6-9,11,17,19,29H,4-5,10H2,1-3H3,(H,25,26)/t17-,19+/m0/s1
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| InChIKey |
JFPKQYGTDPWBBT-PKOBYXMFSA-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