General Information of the Compound
| Compound ID |
CP0575375
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| Compound Name |
(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-3-(1H-pyrazol-4-yl)-2H-chromen-6-ol
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| Structure |
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| Formula |
C25H26FN3O3
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| Molecular Weight |
435.499
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cn[nH]c1
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| InChI |
InChI=1S/C25H26FN3O3/c1-16-22-10-20(30)4-7-23(22)32-25(24(16)19-12-27-28-13-19)18-2-5-21(6-3-18)31-9-8-29-14-17(11-26)15-29/h2-7,10,12-13,17,25,30H,8-9,11,14-15H2,1H3,(H,27,28)/t25-/m0/s1
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| InChIKey |
KYRLRZYYTUQCRW-VWLOTQADSA-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