General Information of the Compound
| Compound ID |
CP0564671
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| Compound Name |
N-[(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-3-phenyl-2H-chromen-6-yl]methanesulfonamide
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| Structure |
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| Formula |
C29H31FN2O4S
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| Molecular Weight |
522.642
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(NS(C)(=O)=O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H31FN2O4S/c1-20-26-16-24(31-37(2,33)34)10-13-27(26)36-29(28(20)22-6-4-3-5-7-22)23-8-11-25(12-9-23)35-15-14-32-18-21(17-30)19-32/h3-13,16,21,29,31H,14-15,17-19H2,1-2H3/t29-/m0/s1
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| InChIKey |
JJMJMBQBSOJTIB-LJAQVGFWSA-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