General Information of the Compound
| Compound ID |
CP0396826
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| Compound Name |
(3R)-3-[2-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]methoxy]pyridin-4-yl]butanoic acid
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| Structure |
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| Formula |
C29H33FN2O4
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| Molecular Weight |
492.591
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| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(COc2cc(ccn2)[C@H](C)CC(O)=O)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C29H33FN2O4/c1-18(12-28(33)34)20-9-11-31-27(14-20)36-17-19-7-8-21(23-15-26(35-4)32-16-25(23)30)22(13-19)24-6-5-10-29(24,2)3/h7-9,11,13-16,18,24H,5-6,10,12,17H2,1-4H3,(H,33,34)/t18-,24+/m1/s1
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| InChIKey |
DSKCNYNNKKGAPM-KOSHJBKYSA-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