General Information of the Compound
| Compound ID |
CP0414781
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C32H35F2NO4
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| Molecular Weight |
535.631
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| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(COc2cccc([C@@H](CC(O)=O)C3CC3)c2F)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C32H35F2NO4/c1-32(2)13-5-7-26(32)24-14-19(9-12-21(24)25-15-29(38-3)35-17-27(25)33)18-39-28-8-4-6-22(31(28)34)23(16-30(36)37)20-10-11-20/h4,6,8-9,12,14-15,17,20,23,26H,5,7,10-11,13,16,18H2,1-3H3,(H,36,37)/t23-,26-/m0/s1
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| InChIKey |
QTLYCLHWIIYSLV-OZXSUGGESA-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