General Information of the Compound
| Compound ID |
CP0861373
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| Compound Name |
5-(6-Amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)-phenyl]ethoxy}pyridin-3-yl)-2-[(2S)-1,2-dihydroxypropan-2-yl]-1,3-thiazole-4-carbonitrile
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| Structure |
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| Formula |
C22H23FN6O3S
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| Molecular Weight |
470.53
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| Canonical SMILES |
Cc1nc([C@@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
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| InChI |
InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22+/m1/s1
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| InChIKey |
DIXMBHMNEHPFCX-DMZKTXOQSA-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