General Information of the Compound
| Compound ID |
CP0561771
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| Compound Name |
N-[(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-fluorophenyl)-4-methyl-2H-chromen-6-yl]acetamide
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| Structure |
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| Formula |
C30H30F2N2O3
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| Molecular Weight |
504.577
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| Canonical SMILES |
CC(=O)Nc1ccc2O[C@H](C(=C(C)c2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C30H30F2N2O3/c1-19-27-15-25(33-20(2)35)9-12-28(27)37-30(29(19)22-3-7-24(32)8-4-22)23-5-10-26(11-6-23)36-14-13-34-17-21(16-31)18-34/h3-12,15,21,30H,13-14,16-18H2,1-2H3,(H,33,35)/t30-/m0/s1
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| InChIKey |
UVARLOOYIJZIII-PMERELPUSA-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