General Information of the Compound
| Compound ID |
CP0941596
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| Compound Name |
3-[5-(6-Amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)-phenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]-1-methylazetidin-3-ol
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| Structure |
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| Formula |
C23H24FN7O2S
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| Molecular Weight |
481.557
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| Canonical SMILES |
Cc1nc(C2(O)CN(C)C2)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
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| InChI |
InChI=1S/C23H24FN7O2S/c1-13-20(34-22(29-13)23(32)11-30(3)12-23)15-8-19(21(25)26-10-15)33-14(2)17-9-16(24)4-5-18(17)31-27-6-7-28-31/h4-10,14,32H,11-12H2,1-3H3,(H2,25,26)/t14-/m1/s1
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| InChIKey |
UPIIHDCKFDHMSR-CQSZACIVSA-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